UCSF

ZINC04239271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 18 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 5.66 -8.69 1 4 0 47 243.31 5
Lo Low (pH 4.5-6) 2.49 6.94 -30.57 2 4 1 48 244.318 5

Activity (Go SEA)

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