UCSF

ZINC35836446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 3.39 13.79 -34.87 1 6 1 54 416.496 3
Hi High (pH 8-9.5) 3.39 13.58 -13.66 0 6 0 53 415.488 3

Activity (Go SEA)

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