UCSF

ZINC35330046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 30 No

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) 2.36 -0.21 -17.92 6 8 0 139 416.474 11
Hi High (pH 8-9.5) 2.36 0.71 -53.66 5 8 -1 142 415.466 11

Activity (Go SEA)

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