UCSF

ZINC07367572

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 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) 4.62 9.42 -9.13 0 4 0 47 337.448 3
Ref Reference (pH 7) 4.62 9.95 -8.72 0 4 0 47 337.448 3
Lo Low (pH 4.5-6) 4.62 10.43 -44.13 1 4 1 49 338.456 3
Lo Low (pH 4.5-6) 4.62 9.89 -45.08 1 4 1 49 338.456 3

Activity (Go SEA)

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