UCSF

ZINC22456118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 17 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) 2.89 7.67 -34.44 1 2 1 8 233.379 4
Hi High (pH 8-9.5) 2.89 5.84 -2.12 0 2 0 6 232.371 4
Mid Mid (pH 6-8) 2.89 8.22 -34.45 1 2 1 8 233.379 4

Activity (Go SEA)

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