UCSF

ZINC53133165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.99 3.45 -11.42 2 5 0 78 270.267 3
Lo Low (pH 4.5-6) 1.99 3.92 -35.78 3 5 1 79 271.275 3

Activity (Go SEA)

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