UCSF

ZINC33742445

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 5.87 13.51 -57.67 2 5 1 56 453.578 13
Hi High (pH 8-9.5) 5.87 11.21 -12.93 1 5 0 55 452.57 13

Activity (Go SEA)

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