UCSF

ZINC27428689

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 20 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) 0.25 6.46 -128.98 1 6 -2 109 283.324 6
Mid Mid (pH 6-8) 0.25 5.32 -62.3 2 6 -1 107 284.332 6

Activity (Go SEA)

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