UCSF

ZINC44687539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.20 5.37 -40.3 3 4 1 46 274.388 5
Hi High (pH 8-9.5) 1.20 2.99 -9.63 2 4 0 44 273.38 5
Hi High (pH 8-9.5) 1.20 4.22 -52.25 3 4 1 49 274.388 5
Lo Low (pH 4.5-6) 1.20 6.61 -125.97 4 4 2 50 275.396 5

Activity (Go SEA)

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