UCSF

ZINC39964084

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 31 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) 4.28 14.77 -12.16 1 6 0 67 416.525 5
Mid Mid (pH 6-8) 4.28 15.23 -33.55 2 6 1 68 417.533 5

Activity (Go SEA)

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