UCSF

ZINC36826871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.91 6.26 -119.12 4 4 2 51 296.455 1
Hi High (pH 8-9.5) 1.91 6.13 -29.49 3 4 1 49 295.447 1

Activity (Go SEA)

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