UCSF

ZINC36786389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 No

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) -0.97 0.72 -48.31 4 5 1 77 216.305 5
Hi High (pH 8-9.5) -0.79 0.8 -56.8 3 5 0 83 215.297 5
Hi High (pH 8-9.5) -0.97 0.43 -5.56 3 5 0 75 215.297 5

Activity (Go SEA)

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