UCSF

ZINC25356474

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 25 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) 3.97 13.64 -55.45 2 3 1 34 328.439 5
Hi High (pH 8-9.5) 3.97 12.37 -8.32 1 3 0 30 327.431 5
Lo Low (pH 4.5-6) 3.97 14.12 -94.69 3 3 2 36 329.447 5

Activity (Go SEA)

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