UCSF

ZINC19901126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.28 4.78 -41.27 2 4 1 38 285.452 6
Hi High (pH 8-9.5) 2.28 3.43 -2.79 1 4 0 34 284.444 6
Mid Mid (pH 6-8) 2.28 6.85 -115.48 3 4 2 40 286.46 6
Mid Mid (pH 6-8) 2.28 5.56 -31.5 2 4 1 35 285.452 6

Activity (Go SEA)

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