UCSF

ZINC63781468

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.21 10.42 -38.15 1 3 1 25 340.285 5
Hi High (pH 8-9.5) 3.21 8.4 -9.46 0 3 0 24 339.277 5

Activity (Go SEA)

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