UCSF

ZINC12544868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 2.03 0.83 -16.37 2 6 0 92 344.389 5
Hi High (pH 8-9.5) 2.03 0.93 -41.94 1 6 -1 94 343.381 5
Hi High (pH 8-9.5) 2.03 0.91 -46.48 1 6 -1 94 343.381 5
Hi High (pH 8-9.5) 2.03 1.02 -100.03 0 6 -2 96 342.373 5

Activity (Go SEA)

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