UCSF

ZINC22134264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 29 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) 2.69 3.95 -50.27 1 9 -1 123 424.451 11
Hi High (pH 8-9.5) 2.69 4.02 -123.28 0 9 -2 125 423.443 11

Activity (Go SEA)

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