UCSF

ZINC22240147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 23 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) 3.10 10.52 -11.65 0 4 0 48 325.437 3
Lo Low (pH 4.5-6) 3.10 10.89 -49.16 1 4 1 49 326.445 3

Activity (Go SEA)

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