UCSF

ZINC42463650

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.24 2.29 -114.01 4 4 2 45 255.406 4
Hi High (pH 8-9.5) 0.24 2.29 -26.84 3 4 1 43 254.398 4
Hi High (pH 8-9.5) 0.24 0.48 -47.78 3 4 1 43 254.398 4
Hi High (pH 8-9.5) 0.24 2.89 -32.61 3 4 1 43 254.398 4
Lo Low (pH 4.5-6) 0.24 2.89 -110.62 4 4 2 45 255.406 4

Activity (Go SEA)

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