UCSF

ZINC31935191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 3.54 9.75 -62.9 3 3 1 45 316.428 3
Lo Low (pH 4.5-6) 3.54 10.16 -98.85 4 3 2 46 317.436 3

Activity (Go SEA)

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