UCSF

ZINC44651050

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) -0.61 3.6 -72.95 2 6 0 80 257.334 7
Hi High (pH 8-9.5) -0.62 2.25 -47.29 1 6 -1 76 256.326 7
Mid Mid (pH 6-8) -0.61 5.81 -99.46 3 6 1 81 258.342 7

Activity (Go SEA)

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