UCSF

ZINC41298867

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 1.46 6.44 -46.77 2 5 1 56 300.382 6
Mid Mid (pH 6-8) 1.46 4.25 -9.98 1 5 0 54 299.374 6

Activity (Go SEA)

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