UCSF

ZINC05590594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 23 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) 2.70 -0.17 -44.15 3 6 -1 105 327.341 3
Lo Low (pH 4.5-6) 2.70 0.34 -18.97 4 6 0 103 328.349 3

Activity (Go SEA)

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