UCSF

ZINC25444791

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 3.22 7.56 -29.28 2 7 0 101 428.539 6
Hi High (pH 8-9.5) 3.22 7.63 -62.06 1 7 -1 103 427.531 6
Hi High (pH 8-9.5) 3.28 6.67 -60.25 1 7 -1 107 427.531 6
Hi High (pH 8-9.5) 3.28 6.74 -109.65 0 7 -2 109 426.523 6

Activity (Go SEA)

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