UCSF

ZINC06350146

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 23 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) 3.81 6.84 -7.99 1 4 0 49 340.395 6
Hi High (pH 8-9.5) 3.81 6.89 -45.83 0 4 -1 51 339.387 6
Lo Low (pH 4.5-6) 3.81 6.99 -44.2 1 4 0 53 340.395 6
Lo Low (pH 4.5-6) 3.81 6.94 -49.4 2 4 0 51 341.403 6

Activity (Go SEA)

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