UCSF

ZINC07054944

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 25 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) 1.42 -8.45 -17.37 2 8 0 110 386.451 7
Hi High (pH 8-9.5) 1.42 -7.87 -44.05 1 8 -1 112 385.443 7

Activity (Go SEA)

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