UCSF

ZINC05922431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 3.97 10.59 -41.63 1 3 1 31 290.427 7
Hi High (pH 8-9.5) 3.97 8.36 -6.82 0 3 0 30 289.419 7

Activity (Go SEA)

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