UCSF

ZINC60220191

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 16 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) 0.99 0.88 -32.55 0 6 -1 71 243.605 1
Mid Mid (pH 6-8) 0.99 1.44 -7.58 1 6 0 73 244.613 1

Activity (Go SEA)

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