UCSF

ZINC34961877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 2.98 10.51 -48.64 1 4 -1 77 331.432 11
Lo Low (pH 4.5-6) 2.98 8.54 -11.85 2 4 0 75 332.44 11

Activity (Go SEA)

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