UCSF

ZINC19677887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.67 4.97 -49.27 2 4 1 40 280.436 2
Mid Mid (pH 6-8) 1.67 5.77 -46 2 4 1 37 280.436 2
Mid Mid (pH 6-8) 1.67 3.55 -7.2 1 4 0 36 279.428 2

Activity (Go SEA)

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