UCSF

ZINC20142021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 21 Yes

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) -0.91 2.73 -56.89 2 7 1 73 297.379 6
Lo Low (pH 4.5-6) -0.91 5.07 -123.24 3 7 2 74 298.387 6

Activity (Go SEA)

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