UCSF

ZINC37039442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.02 1.17 -50.06 3 5 1 60 230.332 5
Mid Mid (pH 6-8) 0.02 2.95 -122.77 4 5 2 62 231.34 5

Activity (Go SEA)

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