UCSF

ZINC53661148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 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) 0.61 5.98 -44.13 2 4 1 38 225.36 9
Hi High (pH 8-9.5) 0.61 6.95 -44.77 2 4 1 34 225.36 9
Hi High (pH 8-9.5) 0.61 4.63 -6.84 1 4 0 33 224.352 9
Mid Mid (pH 6-8) 0.61 6.5 -80.36 3 4 2 39 226.368 9
Mid Mid (pH 6-8) 0.61 8.29 -124.12 3 4 2 39 226.368 9
Lo Low (pH 4.5-6) 0.61 8.8 -181.07 4 4 3 40 227.376 9

Activity (Go SEA)

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