UCSF

ZINC37824502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.55 3.31 -49.57 2 6 1 73 283.396 8
Hi High (pH 8-9.5) -0.55 2.13 -13.27 1 6 0 69 282.388 8
Mid Mid (pH 6-8) -0.55 5.57 -106.03 3 6 2 74 284.404 8

Activity (Go SEA)

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