UCSF

ZINC12439820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 2.29 9.83 -11.72 0 5 0 54 405.42 6
Lo Low (pH 4.5-6) 2.29 10.32 -39.77 1 5 1 55 406.428 6

Activity (Go SEA)

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