UCSF

ZINC05866105

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 4.96 10.53 -8.57 1 4 0 51 325.437 6
Hi High (pH 8-9.5) 4.96 10.33 -46.38 0 4 -1 49 324.429 6

Activity (Go SEA)

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