UCSF

ZINC42821655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.50 4.77 -31.21 2 3 1 26 213.345 4
Hi High (pH 8-9.5) 1.50 3.48 -35.19 2 3 1 29 213.345 4
Hi High (pH 8-9.5) 1.50 2.26 -1.97 1 3 0 24 212.337 4
Lo Low (pH 4.5-6) 1.50 5.99 -106.25 3 3 2 30 214.353 4

Activity (Go SEA)

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