UCSF

ZINC33853847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 38 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) 3.67 12.67 -16.99 0 7 0 62 535.71 12
Mid Mid (pH 6-8) 3.67 14.94 -61.6 1 7 1 64 536.718 12

Activity (Go SEA)

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