UCSF

ZINC20238556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

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) 4.13 9.94 -62.11 0 10 -1 143 460.422 6
Lo Low (pH 4.5-6) 3.67 11.72 -21.08 1 10 0 140 461.43 6

Activity (Go SEA)

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