UCSF

ZINC14289603

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 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) 4.31 9.61 -21.84 2 6 0 76 449.938 9
Mid Mid (pH 6-8) 4.31 9.83 -44.86 3 6 1 78 450.946 9

Activity (Go SEA)

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