UCSF

ZINC25418781

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 20 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) 1.07 4.83 -46.76 3 5 1 63 276.36 4
Hi High (pH 8-9.5) 1.07 2.47 -15.21 2 5 0 61 275.352 4

Activity (Go SEA)

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