UCSF

ZINC18174322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.28 6.33 -8.44 1 6 0 54 391.418 5
Mid Mid (pH 6-8) 3.28 8.58 -43.24 2 6 1 55 392.426 5

Activity (Go SEA)

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