UCSF

ZINC04859341

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 29 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) 2.34 9.56 -19.04 0 5 0 52 398.409 7
Lo Low (pH 4.5-6) 2.34 9.85 -51.26 1 5 1 53 399.417 7

Activity (Go SEA)

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