UCSF

ZINC42421615

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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
Hi High (pH 8-9.5) 1.06 4.39 -107.8 4 4 2 45 285.476 5
Hi High (pH 8-9.5) 1.06 5.78 -94.64 4 4 2 44 285.476 5
Hi High (pH 8-9.5) 1.06 3.64 -34.23 3 4 1 43 284.468 5
Hi High (pH 8-9.5) 1.06 3.57 -27.97 3 4 1 43 284.468 5
Lo Low (pH 4.5-6) 1.06 6.26 -220.02 5 4 3 46 286.484 5

Activity (Go SEA)

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