UCSF

ZINC20434017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 Yes

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) 0.81 1.3 -46.08 4 4 1 66 253.347 3
Hi High (pH 8-9.5) 0.81 -0.08 -10.87 3 4 0 61 252.339 3

Activity (Go SEA)

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