UCSF

ZINC35794681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) -0.72 -0.31 -34.58 4 5 1 74 183.235 4
Hi High (pH 8-9.5) -0.72 -0.76 -12.97 3 5 0 73 182.227 4
Lo Low (pH 4.5-6) -0.72 0.37 -44.05 4 5 1 78 183.235 4

Activity (Go SEA)

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