UCSF

ZINC34952349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.92 13.66 -19.25 1 6 0 56 482.628 5
Lo Low (pH 4.5-6) 4.92 15.25 -48.11 2 6 1 57 483.636 5

Activity (Go SEA)

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