UCSF

ZINC22108784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 2.24 6.23 -29.69 2 3 1 30 263.386 3
Lo Low (pH 4.5-6) 2.24 5.51 -40.4 2 3 1 33 263.386 3

Activity (Go SEA)

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