UCSF

ZINC26400595

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 3.97 6.07 -53.23 1 7 -1 96 459.931 8
Mid Mid (pH 6-8) 3.97 6.05 -14.54 2 7 0 94 460.939 8

Activity (Go SEA)

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