UCSF

ZINC33717487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 22 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) 3.31 5.87 -41.41 0 4 -1 72 325.291 4
Lo Low (pH 4.5-6) 3.31 5.79 -11.64 1 4 0 70 326.299 4

Activity (Go SEA)

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