UCSF

ZINC60261771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 33 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) 1.54 3.74 -34.63 2 10 0 150 477.563 8
Hi High (pH 8-9.5) 2.12 3.37 -133.62 2 10 -2 156 476.555 8
Mid Mid (pH 6-8) 2.12 3.78 -61.46 3 10 -1 154 477.563 8
Mid Mid (pH 6-8) 1.54 4.14 -33.37 3 10 0 148 478.571 8

Activity (Go SEA)

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