UCSF

ZINC06786755

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 2.71 7.34 -61.04 0 6 -1 79 398.46 6
Mid Mid (pH 6-8) 3.15 -0.85 -18.31 1 6 0 76 399.468 5

Activity (Go SEA)

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