UCSF

ZINC42473995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.41 9.6 -41.87 3 4 1 49 356.515 7
Hi High (pH 8-9.5) 3.41 7.27 -11.88 2 4 0 48 355.507 7

Activity (Go SEA)

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