UCSF

ZINC60219443

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 35 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) 3.91 6.99 -44.74 4 6 1 87 481.657 5
Hi High (pH 8-9.5) 3.91 5.7 -4.96 3 6 0 82 480.649 5

Activity (Go SEA)

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