UCSF

ZINC33942273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 23 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) 2.82 5.38 -12.09 2 5 0 79 379.254 2
Hi High (pH 8-9.5) 2.82 6.5 -58.48 1 5 -1 82 378.246 2
Hi High (pH 8-9.5) 2.82 5.84 -48.87 1 5 -1 82 378.246 2

Activity (Go SEA)

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