UCSF

ZINC34610974

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 40 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) 6.09 18.14 -35.51 2 5 1 55 523.66 6
Mid Mid (pH 6-8) 6.09 17.76 -23.62 1 5 0 54 522.652 6

Activity (Go SEA)

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