UCSF

ZINC44723526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 10 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) 0.16 -0.31 -32.6 3 3 1 46 148.226 6
Hi High (pH 8-9.5) 0.16 -1.59 -5.06 2 3 0 41 147.218 6

Activity (Go SEA)

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