UCSF

ZINC42808808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 34 No

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) 5.33 9.21 -162.1 9 6 3 104 484.838 23
Hi High (pH 8-9.5) 5.33 8.87 -94.87 8 6 2 103 483.83 23
Lo Low (pH 4.5-6) 5.33 11.44 -264.93 10 6 4 105 485.846 23

Activity (Go SEA)

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