UCSF

ZINC38470291

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.89 9.98 -12.48 1 4 0 42 386.495 6
Mid Mid (pH 6-8) 3.89 11.32 -60.26 2 4 1 46 387.503 6

Activity (Go SEA)

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