UCSF

ZINC19720593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 17 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) 2.69 6.35 -5.24 1 2 0 25 246.741 5
Lo Low (pH 4.5-6) 2.69 6.79 -36.1 2 2 1 26 247.749 5

Activity (Go SEA)

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