UCSF

ZINC39301175

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.61 7.65 -15.32 5 10 0 127 477.569 10
Mid Mid (pH 6-8) 3.61 7.62 -38.96 6 10 1 128 478.577 10
Mid Mid (pH 6-8) 3.61 10.03 -83.51 7 10 2 129 479.585 10
Mid Mid (pH 6-8) 3.61 9.9 -86.14 7 10 2 129 479.585 10
Mid Mid (pH 6-8) 3.61 9.93 -52.26 6 10 1 128 478.577 10

Activity (Go SEA)

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