UCSF

ZINC27626879

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 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) 3.58 5.92 -17.88 2 6 0 85 416.524 7
Hi High (pH 8-9.5) 3.58 5.97 -54.49 1 6 -1 87 415.516 7

Activity (Go SEA)

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