UCSF

ZINC42535953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) -0.42 3.8 -47.87 1 6 1 64 239.299 4
Hi High (pH 8-9.5) -0.42 1.51 -15.11 0 6 0 62 238.291 4

Activity (Go SEA)

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