UCSF

ZINC41567900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 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) 2.30 5.93 -15.28 1 4 0 51 276.361 2
Mid Mid (pH 6-8) 2.30 6.32 -35.39 2 4 1 52 277.369 2

Activity (Go SEA)

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