UCSF

ZINC36199228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.62 2.79 -112.74 5 6 2 80 297.399 10
Hi High (pH 8-9.5) 0.62 1.96 -56.13 4 6 1 78 296.391 10

Activity (Go SEA)

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