UCSF

ZINC21022902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 4.56 9.73 -63.78 2 6 -1 98 387.415 5

Activity (Go SEA)

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