UCSF

ZINC19785157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 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) -0.08 1.7 -13.86 1 6 0 62 306.362 3
Lo Low (pH 4.5-6) -0.08 4.04 -50.26 2 6 1 63 307.37 3

Activity (Go SEA)

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