UCSF

ZINC41685172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.62 3.3 -47.03 2 7 1 95 266.277 8
Hi High (pH 8-9.5) 0.62 1.97 -10.99 1 7 0 90 265.269 8

Activity (Go SEA)

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