UCSF

ZINC36754595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -0.82 -2.49 -53.94 4 6 1 94 290.409 3
Lo Low (pH 4.5-6) -0.82 -0.3 -123.05 5 6 2 95 291.417 3

Activity (Go SEA)

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