UCSF

ZINC43248869

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.28 4.32 -114.62 5 3 2 52 284.469 6
Hi High (pH 8-9.5) 2.28 1.89 -2.87 3 3 0 49 282.453 6
Hi High (pH 8-9.5) 2.28 3.75 -25.01 4 3 1 51 283.461 6
Mid Mid (pH 6-8) 2.28 2.3 -46.64 4 3 1 51 283.461 6

Activity (Go SEA)

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