UCSF

ZINC37244112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) -1.22 0.09 -48.36 4 5 1 77 202.278 5
Hi High (pH 8-9.5) -1.03 0.07 -56.76 3 5 0 83 201.27 5
Hi High (pH 8-9.5) -1.22 -0.3 -5.73 3 5 0 75 201.27 5

Activity (Go SEA)

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