UCSF

ZINC20390737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.38 9.63 -58.58 2 6 1 73 396.463 5
Mid Mid (pH 6-8) 4.38 10.26 -35.34 1 6 0 76 395.455 5

Activity (Go SEA)

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