UCSF

ZINC42421323

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 21 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) 1.56 5.18 -107.79 4 4 2 45 299.503 6
Hi High (pH 8-9.5) 1.56 6.57 -94.74 4 4 2 44 299.503 6
Hi High (pH 8-9.5) 1.56 4.42 -34.03 3 4 1 43 298.495 6
Hi High (pH 8-9.5) 1.56 4.53 -29.71 3 4 1 43 298.495 6
Lo Low (pH 4.5-6) 1.56 7.05 -220.64 5 4 3 46 300.511 6

Activity (Go SEA)

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