UCSF

ZINC33769866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 35 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 7.19 -22.11 3 8 0 86 479.625 9
Mid Mid (pH 6-8) 3.83 9.52 -61.97 4 8 1 87 480.633 9

Activity (Go SEA)

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