UCSF

ZINC36877417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.41 4.95 -55.33 4 4 1 66 296.341 6
Hi High (pH 8-9.5) 1.41 4.65 -10.69 3 4 0 64 295.333 6
Lo Low (pH 4.5-6) 1.41 5.57 -123.26 5 4 2 67 297.349 6

Activity (Go SEA)

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