UCSF

ZINC19436006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 1.61 5.82 -12.34 3 5 0 75 268.32 2
Lo Low (pH 4.5-6) 1.61 6.25 -39.42 4 5 1 76 269.328 2

Activity (Go SEA)

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