UCSF

ZINC48793379

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 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) 2.87 9.58 -44.67 1 3 1 25 275.416 4
Mid Mid (pH 6-8) 2.87 7.38 -7.58 0 3 0 24 274.408 4

Activity (Go SEA)

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