UCSF

ZINC22037307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 2.21 7.31 -35.84 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 2.21 7.23 -38.6 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 2.21 5.03 -7.06 0 3 0 24 246.354 4

Activity (Go SEA)

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