UCSF

ZINC24902249

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) -0.63 6.35 -19 0 7 0 70 391.475 3
Mid Mid (pH 6-8) -0.63 8.92 -62.51 1 7 1 71 392.483 3

Activity (Go SEA)

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