UCSF

ZINC53157718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.67 6.64 -36.8 2 2 1 16 239.77 4
Lo Low (pH 4.5-6) 2.67 7.84 -114.54 3 2 2 21 240.778 4
Lo Low (pH 4.5-6) 2.67 5.49 -39.41 2 2 1 20 239.77 4

Activity (Go SEA)

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