UCSF

ZINC37998076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 0.46 6.9 -51.64 2 5 1 53 274.344 5
Hi High (pH 8-9.5) 0.46 5.49 -9.13 1 5 0 48 273.336 5
Mid Mid (pH 6-8) 0.46 7.42 -89.16 3 5 2 54 275.352 5

Activity (Go SEA)

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