UCSF

ZINC21500353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 3.45 8.29 -33.24 2 2 1 16 285.814 6
Hi High (pH 8-9.5) 3.45 6.01 -3.36 1 2 0 15 284.806 6
Mid Mid (pH 6-8) 3.45 9.72 -99.85 3 2 2 21 286.822 6
Mid Mid (pH 6-8) 3.45 7.44 -35.21 2 2 1 20 285.814 6

Activity (Go SEA)

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