UCSF

ZINC29314125

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 23 No

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) 1.55 2.94 -46.9 6 6 1 109 322.429 10
Mid Mid (pH 6-8) 1.55 3.88 -122.87 7 6 2 114 323.437 10

Activity (Go SEA)

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