UCSF

ZINC20126862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 1.97 4.62 -37.12 2 3 1 33 223.34 5
Mid Mid (pH 6-8) 1.97 7.14 -113.49 3 3 2 34 224.348 5
Mid Mid (pH 6-8) 1.97 5.84 -35.27 2 3 1 30 223.34 5

Activity (Go SEA)

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