UCSF

ZINC27642577

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.01 9.77 -33.85 1 3 1 31 266.405 6
Hi High (pH 8-9.5) 4.01 7.62 -4.01 0 3 0 30 265.397 6

Activity (Go SEA)

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