UCSF

ZINC05421794

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 22 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) 4.76 10.1 -42.34 2 3 1 38 307.502 13
Lo Low (pH 4.5-6) 4.76 10.38 -94.76 3 3 2 39 308.51 13

Activity (Go SEA)

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