UCSF

ZINC26787104

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 34 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) 6.74 13.06 -12.7 0 5 0 76 476.642 6
Mid Mid (pH 6-8) 6.74 13.42 -38.87 1 5 1 78 477.65 6

Activity (Go SEA)

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