UCSF

ZINC36163682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.40 1.11 -47.53 3 4 1 63 237.254 3
Hi High (pH 8-9.5) 0.40 0.7 -8.25 2 4 0 61 236.246 3

Activity (Go SEA)

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