UCSF

ZINC37819220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.61 3.89 -92.26 4 6 2 73 286.42 5
Hi High (pH 8-9.5) -0.61 1.49 -49.59 3 6 1 71 285.412 5
Hi High (pH 8-9.5) -0.61 3.56 -43.87 3 6 1 71 285.412 5

Activity (Go SEA)

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