UCSF

ZINC15521200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.40 4.79 -49.07 2 5 1 52 261.301 5
Hi High (pH 8-9.5) 1.40 2.54 -12.32 1 5 0 51 260.293 5

Activity (Go SEA)

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