UCSF

ZINC21992190

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) -1.46 3.82 -20.5 2 9 0 129 408.403 1
Hi High (pH 8-9.5) -1.46 4.08 -42.83 1 9 -1 131 407.395 1

Activity (Go SEA)

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