UCSF

ZINC12496531

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 23 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) 5.50 10.82 -48.62 1 3 -1 60 319.465 14

Activity (Go SEA)

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