UCSF

ZINC21952730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 20 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) 2.43 7.08 -56.44 0 5 -1 71 272.28 6
Lo Low (pH 4.5-6) 2.43 7.52 -64.91 1 5 0 73 273.288 6

Activity (Go SEA)

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