UCSF

ZINC25670767

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 20 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) 2.89 3.33 -15.02 2 5 0 75 302.371 7
Mid Mid (pH 6-8) 2.89 3.4 -41.99 1 5 -1 77 301.363 7

Activity (Go SEA)

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