UCSF

ZINC35808030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 4.89 9.73 -13.68 1 4 0 45 445.991 10
Mid Mid (pH 6-8) 4.89 11.84 -61.12 2 4 1 46 446.999 10

Activity (Go SEA)

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