UCSF

ZINC39967406

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 27 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) 4.77 13.82 -42.81 1 5 1 44 407.991 9
Hi High (pH 8-9.5) 4.77 11.6 -11.36 0 5 0 43 406.983 9

Activity (Go SEA)

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