UCSF

ZINC44518542

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.06 6.4 -171.78 5 4 3 46 274.473 9
Hi High (pH 8-9.5) 1.06 5.18 -73.35 4 4 2 41 273.465 9
Mid Mid (pH 6-8) 1.06 6.96 -92.76 4 4 2 49 273.465 9

Activity (Go SEA)

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