UCSF

ZINC43247900

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) 2.61 4.41 -38.17 3 2 1 31 253.435 5
Hi High (pH 8-9.5) 2.61 6.14 -28.49 3 2 1 30 253.435 5
Hi High (pH 8-9.5) 2.61 4.09 -1.77 2 2 0 29 252.427 5
Lo Low (pH 4.5-6) 2.61 6.44 -101.61 4 2 2 32 254.443 5

Activity (Go SEA)

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