UCSF

ZINC33672211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 4.47 11.2 -14.56 1 7 0 88 453.564 7
Lo Low (pH 4.5-6) 0.80 12.03 -41.65 2 7 1 88 454.572 8

Activity (Go SEA)

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