UCSF

ZINC36817719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 1.78 3.31 -44.06 0 6 -1 87 291.308 5
Lo Low (pH 4.5-6) 1.78 3.3 -12.62 1 6 0 85 292.316 5
Lo Low (pH 4.5-6) 1.78 3.77 -46.86 1 6 0 89 292.316 5

Activity (Go SEA)

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