UCSF

ZINC21792835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 No

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) 3.12 7.66 -44.14 2 6 1 72 296.391 8
Hi High (pH 8-9.5) 3.12 5.61 -6.54 1 6 0 70 295.383 8

Activity (Go SEA)

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