UCSF

ZINC34568738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 39 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) 7.92 15.15 -5.72 2 3 0 33 512.697 12
Mid Mid (pH 6-8) 7.92 15.75 -41.41 3 3 1 38 513.705 12
Lo Low (pH 4.5-6) 7.92 16.63 -114.41 4 3 2 42 514.713 12

Activity (Go SEA)

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