UCSF

ZINC29930929

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 25 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) 3.16 9.41 -17.24 1 5 0 66 335.407 5
Hi High (pH 8-9.5) 3.62 8.28 -50.48 0 5 -1 69 334.399 5

Activity (Go SEA)

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