UCSF

ZINC03639140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 18 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) 1.91 7.02 -36.5 1 4 1 32 250.318 4
Hi High (pH 8-9.5) 1.91 4.52 -8.63 0 4 0 31 249.31 4

Activity (Go SEA)

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