UCSF

ZINC37824513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.28 2.87 -54.22 3 6 1 84 297.423 8
Hi High (pH 8-9.5) 0.28 2.66 -11.88 2 6 0 83 296.415 8
Mid Mid (pH 6-8) 0.28 5.16 -143.45 4 6 2 85 298.431 8

Activity (Go SEA)

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