UCSF

ZINC43247731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.96 4.06 -40.25 3 2 1 31 255.451 6
Hi High (pH 8-9.5) 2.96 5.94 -26.61 3 2 1 30 255.451 6
Hi High (pH 8-9.5) 2.96 4.36 -1.2 2 2 0 29 254.443 6
Lo Low (pH 4.5-6) 2.96 6.25 -117.02 4 2 2 32 256.459 6

Activity (Go SEA)

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