UCSF

ZINC42770924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.44 4.03 -95.27 3 6 2 62 308.492 7
Hi High (pH 8-9.5) 0.44 2.15 -48.19 2 6 1 60 307.484 7

Activity (Go SEA)

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