UCSF

ZINC15566860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2008 26 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) 2.91 10.31 -55.26 2 5 1 56 345.426 7
Mid Mid (pH 6-8) 2.91 10.74 -86.05 3 5 2 57 346.434 7
Lo Low (pH 4.5-6) 2.91 10.59 -116.2 3 5 2 57 346.434 7
Lo Low (pH 4.5-6) 2.91 11.02 -156.84 4 5 3 59 347.442 7

Activity (Go SEA)

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