UCSF

ZINC69484042

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

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) 2.61 3.55 -19.94 3 5 0 78 332.787 6
Hi High (pH 8-9.5) 2.61 4.32 -48.88 2 5 -1 81 331.779 6

Activity (Go SEA)

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