UCSF

ZINC46036485

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 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) 2.50 5.67 -41.1 2 4 1 51 295.428 3
Hi High (pH 8-9.5) 2.50 3.51 -7.79 1 4 0 49 294.42 3

Activity (Go SEA)

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