UCSF

ZINC37451207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -3.41 -2.1 -79.37 3 9 -1 148 280.216 4
Mid Mid (pH 6-8) -2.95 -4.23 -137.94 2 9 -2 151 279.208 4

Activity (Go SEA)

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