UCSF

ZINC43965845

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.12 5.77 -32.83 2 4 1 35 279.404 7
Mid Mid (pH 6-8) 2.12 7 -111.7 3 4 2 40 280.412 7

Activity (Go SEA)

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