UCSF

ZINC06645768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 24 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) 3.45 8.29 -10.44 1 5 0 71 319.364 4
Hi High (pH 8-9.5) 3.45 7.88 -42.46 0 5 -1 69 318.356 4
Hi High (pH 8-9.5) 3.45 7.87 -42.12 0 5 -1 69 318.356 4

Activity (Go SEA)

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