UCSF

ZINC44721609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 0.52 2.28 -32.05 3 3 1 37 199.318 6
Hi High (pH 8-9.5) 0.52 -0.1 -3.16 2 3 0 35 198.31 6
Lo Low (pH 4.5-6) 0.52 3.47 -107.82 4 3 2 41 200.326 6
Lo Low (pH 4.5-6) 0.52 1.08 -40.76 3 3 1 40 199.318 6

Activity (Go SEA)

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