UCSF

ZINC41655964

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.87 9.11 -51.09 1 4 0 57 288.322 2
Mid Mid (pH 6-8) 2.87 6.8 -51.46 0 4 -1 56 287.314 2

Activity (Go SEA)

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