UCSF

ZINC21811199

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.83 10.74 -119.72 3 2 2 21 294.458 6
Mid Mid (pH 6-8) 3.83 8.36 -38.47 2 2 1 20 293.45 6
Mid Mid (pH 6-8) 3.83 10.59 -34.36 2 2 1 16 293.45 6

Activity (Go SEA)

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