UCSF

ZINC40395028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 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) -0.91 -1.01 -10.12 6 9 0 146 299.722 2
Hi High (pH 8-9.5) -0.91 -0.67 -38.98 5 9 -1 143 298.714 2
Lo Low (pH 4.5-6) -0.78 0.3 -32.6 7 9 1 145 300.73 3

Activity (Go SEA)

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