UCSF

ZINC41731211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) 0.36 7.05 -30.35 2 3 0 57 211.305 7
Hi High (pH 8-9.5) 0.36 7.23 -47.64 1 3 -1 52 210.297 7

Activity (Go SEA)

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