UCSF

ZINC42431903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 5.18 9.26 -40.47 2 1 1 17 294.852 3
Mid Mid (pH 6-8) 5.18 7.92 -5.12 1 1 0 12 293.844 3

Activity (Go SEA)

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