UCSF

ZINC25524043

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 3.98 7.43 -28.91 1 6 0 85 489.8 5
Hi High (pH 8-9.5) 4.16 6.35 -48.5 0 6 -1 92 488.792 5

Activity (Go SEA)

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