UCSF

ZINC22044642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 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) 3.78 5.32 -40.56 3 4 1 49 349.539 6
Hi High (pH 8-9.5) 3.78 3.97 -4.31 2 4 0 45 348.531 6

Activity (Go SEA)

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