UCSF

ZINC40291296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 20 No

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) 3.67 6.57 -12.22 3 4 0 64 292.452 5
Lo Low (pH 4.5-6) 3.67 6.7 -34.56 4 4 1 65 293.46 5

Activity (Go SEA)

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