UCSF

ZINC37843074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.97 4.33 -16.7 1 6 0 82 321.782 9
Hi High (pH 8-9.5) 1.97 4.5 -46.36 0 6 -1 84 320.774 9

Activity (Go SEA)

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