UCSF

ZINC37101354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 5.88 9.29 -5.96 1 2 0 25 270.42 6
Mid Mid (pH 6-8) 5.88 9.63 -27.84 2 2 1 26 271.428 6

Activity (Go SEA)

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