UCSF

ZINC53133666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.11 3.48 -40.78 2 5 1 68 245.306 4
Lo Low (pH 4.5-6) 1.11 3.94 -85.44 3 5 2 70 246.314 4

Activity (Go SEA)

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