UCSF

ZINC37658376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 15 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) -1.31 1.35 -49.31 2 6 -1 104 213.213 5
Lo Low (pH 4.5-6) -1.31 -0.62 -16.94 3 6 0 101 214.221 5

Activity (Go SEA)

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