UCSF

ZINC37091815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.49 6.18 -8.82 1 4 0 43 272.348 6
Lo Low (pH 4.5-6) 2.49 6.64 -41.51 2 4 1 45 273.356 6

Activity (Go SEA)

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