UCSF

ZINC28824331

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 25 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) 3.96 10.79 -10.25 3 8 0 95 366.853 9
Lo Low (pH 4.5-6) 3.96 11.18 -25.45 4 8 1 97 367.861 9

Activity (Go SEA)

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