UCSF

ZINC41711732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -0.30 2.71 -55.15 5 5 1 82 257.317 3
Mid Mid (pH 6-8) -0.30 3.17 -89.52 6 5 2 83 258.325 3

Activity (Go SEA)

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