UCSF

ZINC43247701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 1.77 3.71 -39.8 3 2 1 31 225.381 4
Hi High (pH 8-9.5) 1.77 5.64 -29.93 3 2 1 30 225.381 4
Hi High (pH 8-9.5) 1.77 3.3 -1.84 2 2 0 29 224.373 4
Lo Low (pH 4.5-6) 1.77 5.98 -106.95 4 2 2 32 226.389 4

Activity (Go SEA)

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