UCSF

ZINC02797044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.13 13.88 -62.65 0 10 -1 134 501.899 10
Mid Mid (pH 6-8) 4.13 12.89 -17.07 1 10 0 131 502.907 10

Activity (Go SEA)

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

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