UCSF

ZINC18032035

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 21 No

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) 3.08 5.65 -14.59 2 4 0 65 282.343 5
Ref Reference (pH 7) 3.08 6.43 -16.46 2 4 0 65 282.343 5
Lo Low (pH 4.5-6) 3.08 6.09 -43.43 3 4 1 66 283.351 5
Lo Low (pH 4.5-6) 3.08 6.79 -42.73 3 4 1 66 283.351 5

Activity (Go SEA)

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