UCSF

ZINC41413524

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.55 7.17 -44.2 2 3 1 35 276.4 3
Mid Mid (pH 6-8) 2.55 6.01 -5.37 1 3 0 30 275.392 3

Activity (Go SEA)

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