UCSF

ZINC46813333

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2010 17 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) 1.24 1.39 -8.48 1 5 0 59 262.375 3
Hi High (pH 8-9.5) 1.24 1.25 -41.68 0 5 -1 61 261.367 3

Activity (Go SEA)

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