UCSF

ZINC13669012

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.03 8.51 -53.67 3 6 1 80 451.012 8
Hi High (pH 8-9.5) 4.03 8.59 -80.99 2 6 0 82 450.004 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.