UCSF

ZINC06622675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 26 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) 2.29 7.93 -61.24 0 6 -1 87 348.334 5
Mid Mid (pH 6-8) 2.29 1.68 -13.77 1 6 0 83 349.342 5
Mid Mid (pH 6-8) 1.71 1.54 -23.3 0 6 0 80 349.342 5

Activity (Go SEA)

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