UCSF

ZINC44684598

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) 2.54 2.86 -39.19 3 4 1 49 277.388 5
Hi High (pH 8-9.5) 2.54 2.09 -4.65 2 4 0 45 276.38 5
Lo Low (pH 4.5-6) 2.54 4.5 -34.74 3 4 1 46 277.388 5

Activity (Go SEA)

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