UCSF

ZINC28768312

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) 1.05 1.18 -43.94 5 5 1 89 281.376 8
Hi High (pH 8-9.5) 1.05 0.11 -12 4 5 0 85 280.368 8

Activity (Go SEA)

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