UCSF

ZINC25445217

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 2.87 9.85 -31.8 1 7 0 90 431.568 6
Hi High (pH 8-9.5) 3.06 8.79 -54.29 0 7 -1 96 430.56 6

Activity (Go SEA)

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