UCSF

ZINC20260246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.37 7.82 -129.79 4 2 2 32 246.398 1
Hi High (pH 8-9.5) 1.37 5.72 -1.47 2 2 0 29 244.382 1
Mid Mid (pH 6-8) 1.37 7.52 -35.07 3 2 1 30 245.39 1

Activity (Go SEA)

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