UCSF

ZINC19999927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 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) 2.68 3.28 -16.56 2 6 0 85 382.388 6

Activity (Go SEA)

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