UCSF

ZINC43418749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 No

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) 2.85 5.92 -43.87 4 4 1 63 290.84 7
Mid Mid (pH 6-8) 2.85 3.86 -5.19 3 4 0 62 289.832 7

Activity (Go SEA)

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