UCSF

ZINC34610260

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 0.62 2.36 -18.05 4 7 0 110 313.361 6
Mid Mid (pH 6-8) 0.62 2.77 -44.75 5 7 1 111 314.369 6

Activity (Go SEA)

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