UCSF

ZINC27714393

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 25 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) 0.89 0.94 -50.2 5 6 1 90 347.435 9
Hi High (pH 8-9.5) 0.89 2.78 -54.17 5 6 1 89 347.435 9
Hi High (pH 8-9.5) 0.89 3.72 -69.93 4 6 0 92 346.427 9

Activity (Go SEA)

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