UCSF

ZINC53137019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.59 8.31 -50.38 2 4 1 46 324.376 6
Mid Mid (pH 6-8) 2.59 6.37 -16.85 1 4 0 45 323.368 6

Activity (Go SEA)

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