UCSF

ZINC37242864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -0.67 0.95 -47.96 4 5 1 77 216.305 7
Hi High (pH 8-9.5) -0.48 1.73 -56.03 3 5 0 83 215.297 7
Hi High (pH 8-9.5) -0.67 0.6 -5.25 3 5 0 75 215.297 7

Activity (Go SEA)

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