UCSF

ZINC19265906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 2.77 6.98 -50.22 2 3 1 37 253.41 4
Mid Mid (pH 6-8) 2.77 5.61 -6.95 1 3 0 32 252.402 4

Activity (Go SEA)

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