UCSF

ZINC44992693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) 1.89 6 -27.48 2 3 1 26 241.399 5
Mid Mid (pH 6-8) 1.89 7.21 -111.54 3 3 2 30 242.407 5
Mid Mid (pH 6-8) 1.89 5.35 -34.34 2 3 1 29 241.399 5

Activity (Go SEA)

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