UCSF

ZINC48253408

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 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) 3.43 6.37 -7.5 0 5 0 48 319.401 6
Mid Mid (pH 6-8) 3.43 8.64 -42.59 1 5 1 49 320.409 6

Activity (Go SEA)

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