UCSF

ZINC49399833

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.43 4.8 -36.03 2 5 1 52 271.381 4
Hi High (pH 8-9.5) 1.43 2.57 -8.48 1 5 0 51 270.373 4

Activity (Go SEA)

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