UCSF

ZINC37824033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.60 4.27 -84.13 4 5 2 56 300.491 7
Hi High (pH 8-9.5) 0.60 3.96 -38.24 3 5 1 54 299.483 7
Lo Low (pH 4.5-6) 0.60 6.75 -168.25 5 5 3 57 301.499 7
Lo Low (pH 4.5-6) 0.60 4.35 -94.24 4 5 2 56 300.491 7

Activity (Go SEA)

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