UCSF

ZINC44249983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 11 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) 0.40 0.6 -105.68 6 2 2 55 156.204 2
Hi High (pH 8-9.5) 0.40 0.21 -47.9 5 2 1 54 155.196 2

Activity (Go SEA)

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