UCSF

ZINC09708735

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 27 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) 0.59 5.13 -12.95 2 7 0 91 364.405 4
Lo Low (pH 4.5-6) 0.59 5.57 -45.03 3 7 1 93 365.413 4
Lo Low (pH 4.5-6) 0.59 5.6 -44.97 3 7 1 93 365.413 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.