UCSF

ZINC09370698

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 No

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) 5.68 13.65 -40.11 0 4 -1 60 473.346 4
Ref Reference (pH 7) 5.68 13.95 -60.29 0 4 -1 60 473.346 5
Mid Mid (pH 6-8) 5.10 13.89 -22.05 0 4 0 54 474.354 5
Mid Mid (pH 6-8) 5.68 12.92 -28.51 1 4 0 58 474.354 4
Lo Low (pH 4.5-6) 5.68 13.05 -13.74 1 4 0 58 474.354 5

Activity (Go SEA)

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