UCSF

ZINC33699301

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 40 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) 8.20 20.03 -32.42 2 5 1 57 532.708 10
Mid Mid (pH 6-8) 8.20 19.78 -20.39 1 5 0 56 531.7 10
Mid Mid (pH 6-8) 8.20 20.27 -46.83 2 5 1 60 532.708 10
Lo Low (pH 4.5-6) 8.20 20.52 -100.58 3 5 2 61 533.716 10

Activity (Go SEA)

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