UCSF

ZINC63087830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 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) -0.08 2.03 -41.51 2 3 1 44 156.253 5
Hi High (pH 8-9.5) -0.08 0.59 -7.16 1 3 0 39 155.245 5

Activity (Go SEA)

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