UCSF

ZINC05538156

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 13 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) -2.87 -10.71 -36.42 7 6 1 118 192.191 0
Mid Mid (pH 6-8) -2.87 -12.43 -9.2 6 6 0 113 191.183 0

Activity (Go SEA)

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