UCSF

ZINC09151283

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 35 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) 4.22 -1.56 -16.15 1 6 0 72 483.572 8
Lo Low (pH 4.5-6) 4.22 -1.44 -50.03 2 6 1 73 484.58 8
Lo Low (pH 4.5-6) 4.22 -1.42 -46.29 2 6 1 73 484.58 8
Lo Low (pH 4.5-6) 4.22 -1.31 -87.64 3 6 2 75 485.588 8

Activity (Go SEA)

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