UCSF

ZINC39964111

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 30 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) 3.40 13.28 -16.69 1 6 0 67 414.387 5
Mid Mid (pH 6-8) 3.40 13.75 -38.28 2 6 1 68 415.395 5

Activity (Go SEA)

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