UCSF

ZINC34874870

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 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) 4.24 11.3 -44.23 2 2 0 25 322.472 5
Hi High (pH 8-9.5) 4.24 8.45 -3.03 1 2 0 23 321.464 5

Activity (Go SEA)

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