UCSF

ZINC21817820

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) -0.89 2.55 -56.7 3 5 1 79 265.362 6
Lo Low (pH 4.5-6) -0.89 3.01 -98.98 4 5 2 81 266.37 6

Activity (Go SEA)

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