UCSF

ZINC20225354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 2.34 7.57 -88.21 4 3 2 35 309.523 5
Hi High (pH 8-9.5) 2.34 6.76 -33.6 3 3 1 34 308.515 5
Mid Mid (pH 6-8) 2.34 8.79 -94.28 4 3 2 35 309.523 5

Activity (Go SEA)

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