UCSF

ZINC37799024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.54 1.69 -53.41 3 6 1 77 256.326 2
Hi High (pH 8-9.5) -1.54 1.35 -14.96 2 6 0 76 255.318 2

Activity (Go SEA)

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