UCSF

ZINC40303471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) -0.32 0.2 -13.8 3 6 0 79 279.34 5
Lo Low (pH 4.5-6) -0.32 2.49 -48.18 4 6 1 80 280.348 5

Activity (Go SEA)

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