UCSF

ZINC53133572

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) 1.89 5.03 -49.71 2 5 1 68 273.36 5
Lo Low (pH 4.5-6) 1.89 5.49 -89.22 3 5 2 70 274.368 5

Activity (Go SEA)

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