UCSF

ZINC00064948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 4.94 -0.07 -51.62 1 4 -1 65 291.33 3
Lo Low (pH 4.5-6) 4.94 -0.02 -59.94 2 4 0 66 292.338 3

Activity (Go SEA)

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