UCSF

ZINC41318064

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 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) 1.43 2.55 -14.93 1 6 0 70 339.461 5
Mid Mid (pH 6-8) 1.43 4.92 -50.67 2 6 1 71 340.469 5

Activity (Go SEA)

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