UCSF

ZINC34946658

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 1.47 4.56 -9.71 1 5 0 58 257.293 2
Mid Mid (pH 6-8) 1.47 4.92 -33.08 2 5 1 60 258.301 2

Activity (Go SEA)

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