UCSF

ZINC40671750

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 15 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) 2.66 7.32 -105.51 3 2 2 21 212.381 2
Hi High (pH 8-9.5) 2.66 6.31 -33.03 2 2 1 16 211.373 2
Mid Mid (pH 6-8) 2.66 4.92 -33.94 2 2 1 20 211.373 2

Activity (Go SEA)

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