UCSF

ZINC33668805

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 31 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) 2.78 6.1 -49.97 2 8 1 89 437.549 8
Mid Mid (pH 6-8) 2.78 3.85 -12.92 1 8 0 87 436.541 8

Activity (Go SEA)

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