UCSF

ZINC43261340

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.26 1.04 -44.54 4 3 1 51 334.303 5
Hi High (pH 8-9.5) 2.26 0.75 -3.14 3 3 0 49 333.295 5
Hi High (pH 8-9.5) 2.26 3.99 -29.37 4 3 1 51 334.303 5
Lo Low (pH 4.5-6) 2.26 4.42 -111.28 5 3 2 52 335.311 5

Activity (Go SEA)

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