UCSF

ZINC16689583

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 28 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) 1.45 0.48 -22.57 1 8 0 104 443.572 7
Mid Mid (pH 6-8) 1.45 3.17 -56.22 2 8 1 105 444.58 7

Activity (Go SEA)

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