UCSF

ZINC24876288

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 34 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) 3.70 13.32 -62.09 1 6 1 56 458.582 8
Lo Low (pH 4.5-6) 3.70 13.76 -103.73 2 6 2 57 459.59 8

Activity (Go SEA)

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