UCSF

ZINC11841752

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 35 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) 3.26 2.69 -14.12 0 6 0 71 473.617 5
Lo Low (pH 4.5-6) 3.26 2.8 -36.51 1 6 1 72 474.625 5

Activity (Go SEA)

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