UCSF

ZINC34971117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 3.83 10.22 -14.85 0 6 0 51 440.584 11
Mid Mid (pH 6-8) 3.83 12.47 -49.37 1 6 1 52 441.592 11

Activity (Go SEA)

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