UCSF

ZINC39916948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.73 12.17 -36.97 1 4 1 31 370.904 6
Mid Mid (pH 6-8) 4.73 9.76 -8.73 0 4 0 30 369.896 6

Activity (Go SEA)

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