UCSF

ZINC60193019

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 21 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) 6.72 10.72 -7.77 1 4 0 66 293.407 9
Hi High (pH 8-9.5) 6.72 11.71 -44.37 0 4 -1 69 292.399 9

Activity (Go SEA)

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