UCSF

ZINC31825165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 27 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) 3.54 10.69 -36.44 2 5 1 51 373.496 7
Hi High (pH 8-9.5) 3.54 8.56 -8.6 1 5 0 50 372.488 7

Activity (Go SEA)

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