UCSF

ZINC39391953

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 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) -0.70 4.68 -36.49 2 4 0 66 207.229 2
Hi High (pH 8-9.5) -0.70 3.34 -47.63 1 4 -1 61 206.221 2

Activity (Go SEA)

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