UCSF

ZINC39769780

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 Yes

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) 4.34 11 -105.3 2 4 2 27 360.542 5
Hi High (pH 8-9.5) 4.34 9.05 -32.41 1 4 1 26 359.534 5
Hi High (pH 8-9.5) 4.34 8.92 -3.75 0 4 0 25 358.526 5

Activity (Go SEA)

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