UCSF

ZINC37799062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.44 5.5 -53.15 2 6 1 66 296.391 5
Hi High (pH 8-9.5) -0.44 4.14 -14.57 1 6 0 62 295.383 5

Activity (Go SEA)

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