UCSF

ZINC27243481

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 31 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) 5.78 12.96 -44.6 2 3 1 34 416.585 8
Hi High (pH 8-9.5) 5.78 10.45 -6.1 1 3 0 33 415.577 8

Activity (Go SEA)

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