UCSF

ZINC34929970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 24 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) 2.89 6.72 -10.46 0 5 0 42 334.46 9
Mid Mid (pH 6-8) 2.89 8.98 -38.57 1 5 1 43 335.468 9

Activity (Go SEA)

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