UCSF

ZINC44809012

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 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) 1.23 4.9 -40.85 2 4 1 57 212.317 7
Hi High (pH 8-9.5) 1.42 2.82 -32.56 1 4 0 64 211.309 7

Activity (Go SEA)

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