UCSF

ZINC16897123

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.55 9.91 -27.59 2 7 0 101 485.66 7
Mid Mid (pH 6-8) 5.55 10.31 -23.43 2 7 0 101 485.66 7
Mid Mid (pH 6-8) 6.00 8.67 -62.62 1 7 -1 104 484.652 7

Activity (Go SEA)

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