UCSF

ZINC36127883

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) -1.63 1.37 -91.3 5 6 2 81 258.366 5
Hi High (pH 8-9.5) -1.44 1.36 -85.69 4 6 1 88 257.358 5
Hi High (pH 8-9.5) -1.63 0.98 -39.54 4 6 1 80 257.358 5

Activity (Go SEA)

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