UCSF

ZINC43240837

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) 3.50 6.87 -42.05 3 2 1 31 283.505 7
Hi High (pH 8-9.5) 3.50 8.22 -26.89 3 2 1 30 283.505 7
Hi High (pH 8-9.5) 3.50 7.08 -1.67 2 2 0 29 282.497 7
Lo Low (pH 4.5-6) 3.50 8.31 -105.32 4 2 2 32 284.513 7

Activity (Go SEA)

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