UCSF

ZINC23400705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 24 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) -0.50 0.39 -19.93 3 8 0 125 346.368 4
Hi High (pH 8-9.5) -0.50 0.28 -41.37 2 8 -1 127 345.36 4
Hi High (pH 8-9.5) 0.40 -1.77 -55.41 2 8 -1 128 345.36 4
Lo Low (pH 4.5-6) -0.50 0.87 -55.45 4 8 1 126 347.376 4

Activity (Go SEA)

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