UCSF

ZINC40405482

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 23 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) 2.09 7.79 -91.17 2 6 0 83 319.405 9
Hi High (pH 8-9.5) 2.09 5.66 -57.31 1 6 -1 81 318.397 9
Lo Low (pH 4.5-6) 2.09 8.08 -113.79 3 6 1 84 320.413 9

Activity (Go SEA)

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