UCSF

ZINC42462479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.32 6.63 -52.3 1 4 0 48 242.363 4
Hi High (pH 8-9.5) 0.32 4.57 -46.87 0 4 -1 47 241.355 4
Hi High (pH 8-9.5) 0.32 6.24 -29.84 1 4 0 48 242.363 4
Lo Low (pH 4.5-6) 0.32 8.44 -81.54 2 4 1 49 243.371 4

Activity (Go SEA)

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