UCSF

ZINC36754539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 Yes

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) -1.54 -1.29 -50.9 5 6 1 94 269.369 3
Lo Low (pH 4.5-6) -1.54 0.9 -116.63 6 6 2 95 270.377 3

Activity (Go SEA)

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