UCSF

ZINC44518090

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) -0.06 4.35 -169.25 5 4 3 46 232.392 6
Hi High (pH 8-9.5) -0.06 3.05 -75.44 4 4 2 41 231.384 6
Mid Mid (pH 6-8) -0.06 4.88 -92.69 4 4 2 49 231.384 6

Activity (Go SEA)

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