UCSF

ZINC35022337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 5.71 12.66 -60.54 0 7 -1 88 506.619 15
Lo Low (pH 4.5-6) 5.71 11.76 -14.07 1 7 0 85 507.627 15

Activity (Go SEA)

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