UCSF

ZINC42473434

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.47 -0.85 -10.68 2 7 0 88 255.274 3
Hi High (pH 8-9.5) 0.66 -3.51 -41.29 1 7 -1 94 254.266 3

Activity (Go SEA)

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