UCSF

ZINC20878915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 4.82 9.46 -57.15 1 4 -1 65 324.331 5
Lo Low (pH 4.5-6) 4.82 8.35 -12.05 2 4 0 62 325.339 5

Activity (Go SEA)

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