UCSF

ZINC31972207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) -1.49 3.16 -107.79 1 9 -2 139 320.257 6
Lo Low (pH 4.5-6) -1.49 2.04 -62.09 2 9 -1 136 321.265 6

Activity (Go SEA)

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