UCSF

ZINC31891630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 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) 1.45 5.86 -92.12 4 2 2 32 218.41 6
Hi High (pH 8-9.5) 1.45 3.62 -44.5 3 2 1 31 217.402 6

Activity (Go SEA)

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