UCSF

ZINC33726601

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 5.88 11.24 -16.61 1 7 0 82 477.586 7
Mid Mid (pH 6-8) 5.88 11.67 -39.16 2 7 1 83 478.594 7

Activity (Go SEA)

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