UCSF

ZINC50699992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 0.53 3.39 -8.71 2 4 0 59 205.261 1
Mid Mid (pH 6-8) 0.53 3.43 -34.89 3 4 1 60 206.269 1

Activity (Go SEA)

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