UCSF

ZINC43248995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.58 1.68 -53.51 5 4 1 74 284.449 8
Hi High (pH 8-9.5) 1.58 3.09 -29.77 5 4 1 74 284.449 8
Hi High (pH 8-9.5) 1.58 1.39 -9.02 4 4 0 72 283.441 8
Lo Low (pH 4.5-6) 1.58 3.39 -103.45 6 4 2 75 285.457 8

Activity (Go SEA)

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