UCSF

ZINC31993210

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 Yes

Popular Name: MFCD13561591 MFCD13561591

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219980-00-3 , 202991-92-2

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) 0.14 0.48 -32.41 2 3 1 20 170.28 1 ↓
Hi High (pH 8-9.5) 0.14 -1.41 -2.02 1 3 0 19 169.272 1 ↓
Hi High (pH 8-9.5) 0.14 0.95 -33.41 2 3 1 20 170.28 1 ↓
Mid Mid (pH 6-8) 0.14 2.09 -91.47 3 3 2 24 171.288 1 ↓
Mid Mid (pH 6-8) 0.14 -0.39 -39.75 2 3 1 23 170.28 1 ↓
Lo Low (pH 4.5-6) 0.14 1.91 -105.58 3 3 2 24 171.288 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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