UCSF

ZINC06671706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 23 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) 1.31 2.48 -13.25 4 6 0 97 330.413 4
Lo Low (pH 4.5-6) 1.31 2.76 -44.86 5 6 1 98 331.421 4

Activity (Go SEA)

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