UCSF

ZINC42461245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.67 2.66 -49.03 3 3 1 40 253.341 3
Hi High (pH 8-9.5) 1.67 2.25 -3.81 2 3 0 38 252.333 3
Lo Low (pH 4.5-6) 1.67 4.78 -91.69 4 3 2 41 254.349 3

Activity (Go SEA)

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