UCSF

ZINC38709155

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 23 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) 2.82 5.16 -18.83 2 7 0 113 315.281 5
Hi High (pH 8-9.5) 2.82 7.09 -90.54 0 7 -2 118 313.265 5

Activity (Go SEA)

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