UCSF

ZINC37786494

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.49 8.79 -31.76 2 2 1 16 273.444 3
Lo Low (pH 4.5-6) 3.49 9.93 -110.02 3 2 2 21 274.452 3
Lo Low (pH 4.5-6) 3.49 7.82 -41.7 2 2 1 20 273.444 3

Activity (Go SEA)

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