UCSF

ZINC48984777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 27 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) 2.96 6.28 -26.82 1 7 0 92 447.007 6
Hi High (pH 8-9.5) 3.14 4.69 -57.37 0 7 -1 99 445.999 6

Activity (Go SEA)

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