UCSF

ZINC40972317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 21 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) 2.23 9.77 -42.41 3 5 1 59 284.387 2
Mid Mid (pH 6-8) 2.23 7.39 -6.97 2 5 0 58 283.379 2
Lo Low (pH 4.5-6) 2.23 10.28 -82.76 4 5 2 61 285.395 2
Lo Low (pH 4.5-6) 2.23 10.14 -93.54 4 5 2 61 285.395 2

Activity (Go SEA)

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