UCSF

ZINC21772987

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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) 4.80 8.91 -17.25 1 5 0 60 388.876 6
Hi High (pH 8-9.5) 4.87 8 -48.83 0 5 -1 67 387.868 6

Activity (Go SEA)

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