UCSF

ZINC34941518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 25 No

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) -0.90 0.92 -148.99 2 12 -2 169 373.262 5
Mid Mid (pH 6-8) -0.90 -0.24 -57.2 3 12 -1 166 374.27 5

Activity (Go SEA)

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