UCSF

ZINC00747253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 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) 3.84 10.84 -14.2 2 7 0 74 504.675 9
Mid Mid (pH 6-8) 3.84 13.12 -51.87 3 7 1 75 505.683 9

Activity (Go SEA)

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

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