UCSF

ZINC36075110

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 24 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) 2.64 6.54 -16.92 1 5 0 61 324.38 2
Hi High (pH 8-9.5) 2.64 7.48 -58.67 0 5 -1 64 323.372 2

Activity (Go SEA)

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