UCSF

ZINC23141074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 30 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) 2.87 12.86 -21.15 2 8 0 101 395.426 5
Hi High (pH 8-9.5) 2.94 11.87 -44.58 1 8 -1 108 394.418 5
Mid Mid (pH 6-8) 2.87 12.68 -46.3 1 8 -1 100 394.418 5

Activity (Go SEA)

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