UCSF

ZINC55332605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 18 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) 3.72 7.46 -27.63 4 3 1 56 242.346 2
Mid Mid (pH 6-8) 3.72 7.28 -4.8 3 3 0 55 241.338 2

Activity (Go SEA)

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