UCSF

ZINC49615304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 43 No

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) 7.17 20.71 -30.34 0 4 1 35 631.897 6
Mid Mid (pH 6-8) 7.17 21.03 -31.05 0 4 1 35 631.897 6
Mid Mid (pH 6-8) 7.17 20.77 -30.54 0 4 1 35 631.897 6

Activity (Go SEA)

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