UCSF

ZINC49771871

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 40 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) -1.08 -9 -19.61 8 14 0 225 566.512 7
Hi High (pH 8-9.5) -1.08 -8 -67.48 7 14 -1 228 565.504 7

Activity (Go SEA)

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