UCSF

ZINC04381566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 25 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) 3.04 6.92 -11.77 2 4 0 58 358.438 7
Mid Mid (pH 6-8) 3.04 7.37 -34.18 3 4 1 60 359.446 7

Activity (Go SEA)

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