UCSF

ZINC42421301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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
Hi High (pH 8-9.5) 0.89 4.15 -107.39 4 4 2 45 271.449 5
Hi High (pH 8-9.5) 0.89 5.43 -93.63 4 4 2 44 271.449 5
Hi High (pH 8-9.5) 0.89 3.33 -36.78 3 4 1 43 270.441 5
Hi High (pH 8-9.5) 0.89 3.04 -27.88 3 4 1 43 270.441 5
Lo Low (pH 4.5-6) 0.89 5.9 -217.58 5 4 3 46 272.457 5

Activity (Go SEA)

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