UCSF

ZINC34957080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.81 7.52 -23.9 2 4 1 43 274.388 6
Mid Mid (pH 6-8) 2.81 7.5 -8.99 1 4 0 41 273.38 6

Activity (Go SEA)

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