UCSF

ZINC22044124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 2.14 3.18 -43.55 3 4 1 49 293.431 5
Lo Low (pH 4.5-6) 2.14 5.5 -120.03 4 4 2 51 294.439 5

Activity (Go SEA)

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