UCSF

ZINC19255756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) -0.26 4.21 -106.46 4 4 2 45 265.401 4
Mid Mid (pH 6-8) -0.26 3.69 -135.26 4 4 2 45 265.401 4
Mid Mid (pH 6-8) -0.26 3.27 -33.89 3 4 1 43 264.393 4
Mid Mid (pH 6-8) -0.26 1.74 -47.3 3 4 1 43 264.393 4

Activity (Go SEA)

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