UCSF

ZINC17042808

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 32 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) 6.36 14.54 -12.34 3 6 0 79 427.483 6

Activity (Go SEA)

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