UCSF

ZINC34975402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) -1.13 -0.94 -14.89 4 6 0 101 208.221 4
Lo Low (pH 4.5-6) -1.13 -0.47 -47.13 5 6 1 102 209.229 4

Activity (Go SEA)

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