UCSF

ZINC42592766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 22 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) 1.89 4.95 -40.78 3 5 1 53 301.414 5
Hi High (pH 8-9.5) 1.89 2.68 -9.33 2 5 0 51 300.406 5

Activity (Go SEA)

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