UCSF

ZINC03928787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 20 Yes

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) -0.68 -9.43 -13.23 5 8 0 130 279.3 2
Lo Low (pH 4.5-6) -0.68 -9.29 -36.59 6 8 1 131 280.308 2
Lo Low (pH 4.5-6) -0.68 -9.24 -33.8 6 8 1 131 280.308 2

Activity (Go SEA)

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