UCSF

ZINC42922296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 24 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) 4.08 9.96 -28.63 4 4 1 65 321.448 5
Mid Mid (pH 6-8) 4.08 9.5 -10.49 3 4 0 64 320.44 5

Activity (Go SEA)

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