UCSF

ZINC39230840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 2.37 10.74 -97.54 3 5 2 43 344.503 7
Hi High (pH 8-9.5) 2.37 8.26 -44.04 2 5 1 42 343.495 7

Activity (Go SEA)

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