UCSF

ZINC37838802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.16 6.85 -103.84 2 7 1 86 324.467 12
Hi High (pH 8-9.5) -0.16 4.38 -71.55 1 7 0 85 323.459 12

Activity (Go SEA)

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