UCSF

ZINC12454420

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 31 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) 2.52 -1.02 -17.05 1 8 0 91 441.557 10
Lo Low (pH 4.5-6) 2.52 8.59 -48.75 2 8 1 92 442.565 10

Activity (Go SEA)

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