UCSF

ZINC53126424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.79 4.18 -32.89 4 4 1 66 297.463 5
Hi High (pH 8-9.5) 2.79 3.06 -9.28 3 4 0 61 296.455 5

Activity (Go SEA)

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