UCSF

ZINC42559769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.21 8.86 -37.22 1 4 0 58 234.299 5
Mid Mid (pH 6-8) 2.21 8.01 -49.01 0 4 -1 56 233.291 5

Activity (Go SEA)

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