UCSF

ZINC37044776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.73 2.68 -74.07 3 7 0 98 272.312 3
Lo Low (pH 4.5-6) 0.73 2.77 -50.36 4 7 1 100 273.32 3

Activity (Go SEA)

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