UCSF

ZINC04786711

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.42 4.08 -33.37 1 3 1 27 179.243 2
Lo Low (pH 4.5-6) 0.42 4.34 -101.65 2 3 2 28 180.251 2

Activity (Go SEA)

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