UCSF

ZINC08670422

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2007 34 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) 3.71 8.82 -23.4 1 11 0 156 463.45 9
Lo Low (pH 4.5-6) 3.71 9.52 -61.78 2 11 1 157 464.458 9

Activity (Go SEA)

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