UCSF

ZINC05386800

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.79 6.7 -134.07 5 14 -2 217 485.457 9
Lo Low (pH 4.5-6) -2.79 4.68 -73.24 6 14 -1 214 486.465 9

Activity (Go SEA)

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