UCSF

ZINC21800951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 0.25 3.29 -59.34 4 4 1 74 291.396 5
Hi High (pH 8-9.5) 0.25 2.98 -10.41 3 4 0 72 290.388 5

Activity (Go SEA)

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