UCSF

ZINC51444827

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 3.07 4.7 -15.05 2 6 0 79 348.443 6
Hi High (pH 8-9.5) 3.07 5.56 -51.6 1 6 -1 82 347.435 6

Activity (Go SEA)

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