UCSF

ZINC37859958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.73 8.73 -42.96 2 4 1 42 277.436 6
Mid Mid (pH 6-8) 2.73 9.13 -81.19 3 4 2 43 278.444 6

Activity (Go SEA)

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