UCSF

ZINC16897285

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 33 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) 5.58 10.75 -27.43 2 7 0 101 499.687 8
Mid Mid (pH 6-8) 5.58 11.17 -23.54 2 7 0 101 499.687 8
Mid Mid (pH 6-8) 6.04 9.43 -64.07 1 7 -1 104 498.679 8

Activity (Go SEA)

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