UCSF

ZINC34937959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 1.58 2.05 -8.84 2 3 0 41 226.242 6
Mid Mid (pH 6-8) 1.58 3.3 -43.75 3 3 1 46 227.25 6

Activity (Go SEA)

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