UCSF

ZINC01166501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 31 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) 3.67 -7.03 -16.02 2 8 0 110 466.512 8
Hi High (pH 8-9.5) 3.67 -5.9 -97.52 0 8 -2 114 464.496 8
Hi High (pH 8-9.5) 3.67 -6.47 -50.2 1 8 -1 112 465.504 8
Hi High (pH 8-9.5) 3.67 -6.45 -42.75 1 8 -1 112 465.504 8

Activity (Go SEA)

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