UCSF

ZINC24518919

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 23 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) 3.51 9.58 -36.25 3 3 1 46 309.433 6
Mid Mid (pH 6-8) 3.51 8.48 -9.71 2 3 0 41 308.425 6

Activity (Go SEA)

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