UCSF

ZINC25702859

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.47 11.22 -126.37 4 5 2 67 400.592 8
Hi High (pH 8-9.5) 3.93 10.2 -89.96 3 5 1 70 399.584 8

Activity (Go SEA)

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