UCSF

ZINC39227613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 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) 5.01 12.86 -47.4 2 5 1 60 435.588 5
Hi High (pH 8-9.5) 5.01 10.46 -11.41 1 5 0 59 434.58 5

Activity (Go SEA)

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