UCSF

ZINC28218630

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 25 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) 0.77 2.88 -12.79 2 10 0 105 354.411 8
Mid Mid (pH 6-8) 0.77 3.12 -33.2 3 10 1 106 355.419 8

Activity (Go SEA)

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