UCSF

ZINC51188496

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 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) 5.40 11.81 -48.96 3 3 1 46 379.911 6
Hi High (pH 8-9.5) 5.40 10.72 -11.11 2 3 0 41 378.903 6

Activity (Go SEA)

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