UCSF

ZINC33670829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 25 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) 5.92 11.25 -19.83 1 4 0 51 393.295 5
Hi High (pH 8-9.5) 5.44 10.34 -50.6 0 4 -1 58 392.287 5

Activity (Go SEA)

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