UCSF

ZINC25672322

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 29 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) 1.45 8.27 -60.82 1 8 1 92 420.511 4
Hi High (pH 8-9.5) 1.45 6.06 -20.06 0 8 0 91 419.503 4

Activity (Go SEA)

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