UCSF

ZINC06646769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.11 8.84 -17.02 2 8 0 117 396.428 5
Hi High (pH 8-9.5) 3.18 6.78 -41.37 1 8 -1 123 395.42 5

Activity (Go SEA)

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