UCSF

ZINC39754055

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 4.82 8.24 -19.11 2 7 0 97 434.455 5
Hi High (pH 8-9.5) 4.89 7.2 -57.79 1 7 -1 103 433.447 5

Activity (Go SEA)

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