UCSF

ZINC37840280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.27 -4.4 -23.69 2 8 0 125 336.391 5
Hi High (pH 8-9.5) -0.81 -6.36 -56.85 1 8 -1 128 335.383 5

Activity (Go SEA)

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