UCSF

ZINC00001100

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 11 Yes

Popular Name: Katine Katine

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CAS Numbers: 2153-98-2 , 37577-28-9 , 492-39-7 , [2153-98-2]

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) 0.33 1.32 -41.72 4 2 1 48 152.217 2 ↓
Hi High (pH 8-9.5) 0.33 0.85 -2.66 3 2 0 46 151.209 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.06e+01 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

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