UCSF

ZINC28641202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

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) 3.37 7.53 -22.36 1 6 0 81 351.387 2
Hi High (pH 8-9.5) 3.44 6.61 -44.79 0 6 -1 87 350.379 2

Activity (Go SEA)

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