UCSF

ZINC58088484

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 1.31 3.48 -49.29 3 8 1 106 345.445 8
Hi High (pH 8-9.5) 1.31 2.98 -32.64 2 8 0 108 344.437 8

Activity (Go SEA)

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