UCSF

ZINC43387873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.52 8.48 -52.28 2 2 1 29 285.317 3
Mid Mid (pH 6-8) 3.52 7.48 -7.12 1 2 0 25 284.309 3

Activity (Go SEA)

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