UCSF

ZINC12486728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 0.31 6.65 -11.53 0 8 0 70 331.424 5
Lo Low (pH 4.5-6) 0.31 8.82 -45.25 1 8 1 72 332.432 5

Activity (Go SEA)

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