UCSF

ZINC25373398

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 28 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) 3.81 8.2 -15.32 1 5 0 66 441.38 5
Hi High (pH 8-9.5) 3.81 7.79 -42.5 0 5 -1 69 440.372 5

Activity (Go SEA)

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