UCSF

ZINC00336542

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 10 Yes

Popular Name: 4-Amino-5-aminomethyl-2-methylpyrimidine 4-Amino-5-aminomethyl-2-methylpy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1195-07-9 , 874-43-1 , 95-02-3 , [874-43-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.13 -4.92 -49.12 5 4 1 79 139.182 1 ↓
Lo Low (pH 4.5-6) -1.13 -4.81 -103.56 6 4 2 80 140.19 1 ↓
Lo Low (pH 4.5-6) -1.13 -4.8 -103.47 6 4 2 80 140.19 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.95e+01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
UniProt Database Links TENA_BACSU; TENA_STAA3; TENA_STAA8; TENA_STAAB; TENA_STAAC; TENA_STAAM; TENA_STAAN; TENA_STAAR; TENA_STAAS; TENA_STAAW; TENA_STACT; TENA_STAEQ; TENA_STAES; TENA_STAHJ; TENA_STAS1 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )