UCSF

ZINC35254151

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 34 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) 5.10 12.31 -12.38 1 6 0 71 473.598 8
Lo Low (pH 4.5-6) 1.43 13.32 -39.12 2 6 1 70 474.606 9

Activity (Go SEA)

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