UCSF

ZINC42340821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 1.74 6.38 -41.5 1 4 1 47 235.307 7
Mid Mid (pH 6-8) 1.74 3.96 -8.38 0 4 0 45 234.299 7

Activity (Go SEA)

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