UCSF

ZINC25431773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 20 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) 3.98 9.97 -51.8 2 2 1 40 289.761 4
Mid Mid (pH 6-8) 3.98 8.69 -5.49 1 2 0 36 288.753 4

Activity (Go SEA)

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