UCSF

ZINC43262843

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) 2.73 3.95 -29.58 4 3 1 51 348.33 6
Hi High (pH 8-9.5) 2.73 1.71 -2.91 3 3 0 49 347.322 6
Mid Mid (pH 6-8) 2.73 2.03 -41.75 4 3 1 51 348.33 6
Lo Low (pH 4.5-6) 2.73 4.27 -108.94 5 3 2 52 349.338 6

Activity (Go SEA)

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