UCSF

ZINC44651541

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.87 4.76 -46.81 3 4 1 59 242.368 6
Hi High (pH 8-9.5) 2.43 2.7 -8.68 2 4 0 57 241.36 5
Mid Mid (pH 6-8) 1.69 3.5 -37.8 2 4 0 65 241.36 6

Activity (Go SEA)

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