UCSF

ZINC43248079

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) 3.65 7.45 -45.63 3 2 1 31 283.505 7
Hi High (pH 8-9.5) 3.65 7.83 -26.46 3 2 1 30 283.505 7
Hi High (pH 8-9.5) 3.65 6.46 -1.64 2 2 0 29 282.497 7
Lo Low (pH 4.5-6) 3.65 8.64 -116.67 4 2 2 32 284.513 7

Activity (Go SEA)

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