UCSF

ZINC23486235

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 33 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) 1.17 3.21 -25.42 6 11 0 185 466.527 5
Lo Low (pH 4.5-6) 1.17 3.36 -58.36 7 11 1 187 467.535 5

Activity (Go SEA)

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