UCSF

ZINC06187074

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 27 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) 3.87 8.96 -60.33 0 5 -1 70 364.421 7
Lo Low (pH 4.5-6) 3.87 8.14 -14.72 1 5 0 67 365.429 7

Activity (Go SEA)

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