UCSF

ZINC53652497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.19 4.47 -27.92 2 3 1 29 229.388 6
Mid Mid (pH 6-8) 2.19 6.42 -99.67 3 3 2 30 230.396 6

Activity (Go SEA)

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