UCSF

ZINC34690919

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 37 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) 5.21 11.59 -14.71 0 7 0 60 517.029 7
Mid Mid (pH 6-8) 5.21 13.81 -57.89 1 7 1 61 518.037 7

Activity (Go SEA)

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