UCSF

ZINC09477840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 7.56 -1.59 -9.86 3 5 0 85 518.082 5
Lo Low (pH 4.5-6) 7.56 -1.56 -36.36 4 5 1 86 519.09 5

Activity (Go SEA)

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