UCSF

ZINC39309092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 5.03 16.06 -89.1 2 7 2 66 515.441 9
Mid Mid (pH 6-8) 5.03 15.55 -50.1 1 7 1 65 514.433 9
Mid Mid (pH 6-8) 5.03 15.55 -39.89 1 7 1 65 514.433 9
Mid Mid (pH 6-8) 5.03 15.04 -13.39 0 7 0 63 513.425 9

Activity (Go SEA)

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