UCSF

ZINC19733924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 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) 3.69 7.44 -8.09 2 3 0 43 278.142 1
Lo Low (pH 4.5-6) 3.69 7.97 -33.07 3 3 1 45 279.15 1

Activity (Go SEA)

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