UCSF

ZINC26329011

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.81 10.5 -53.85 2 4 1 57 322.432 7
Hi High (pH 8-9.5) 2.81 8.1 -11.62 1 4 0 56 321.424 7

Activity (Go SEA)

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