UCSF

ZINC28525424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 21 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) -4.39 1.37 -133.35 4 9 -1 157 300.291 7
Hi High (pH 8-9.5) -4.39 0.99 -125.79 3 9 -2 156 299.283 7

Activity (Go SEA)

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