UCSF

ZINC34985881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 5.29 8.9 -4.1 2 3 0 44 289.419 12
Mid Mid (pH 6-8) 5.29 8.82 -32.18 3 3 1 46 290.427 12

Activity (Go SEA)

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