UCSF

ZINC23991102

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 20 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) 2.68 5.84 -36.12 2 4 1 37 345.236 4
Hi High (pH 8-9.5) 2.68 3.57 -7.18 1 4 0 36 344.228 4

Activity (Go SEA)

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