UCSF

ZINC43445777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) -2.33 1.37 -41.65 4 4 0 88 207.295 8
Hi High (pH 8-9.5) -2.33 1.08 -43.14 3 4 -1 86 206.287 8

Activity (Go SEA)

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