UCSF

ZINC33762770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 23 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) 0.83 4.62 -56.92 4 4 1 70 340.419 6
Hi High (pH 8-9.5) 0.83 4.32 -7.81 3 4 0 68 339.411 6

Activity (Go SEA)

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