UCSF

ZINC07275035

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 17 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) 3.09 4.18 -6.95 2 4 0 61 247.323 4
Lo Low (pH 4.5-6) 3.09 4.94 -25.65 3 4 1 62 248.331 4
Lo Low (pH 4.5-6) 3.09 1.08 -28.93 3 4 1 62 248.331 4

Activity (Go SEA)

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