UCSF

ZINC62949057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.77 2.99 -80.14 3 4 2 28 256.438 4
Hi High (pH 8-9.5) 0.77 1.74 -34.17 2 4 1 23 255.43 4
Hi High (pH 8-9.5) 0.77 0.51 -37.39 2 4 1 26 255.43 4
Lo Low (pH 4.5-6) 0.77 5.21 -170.42 4 4 3 29 257.446 4
Lo Low (pH 4.5-6) 0.77 3.94 -84.74 3 4 2 24 256.438 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.