UCSF

ZINC26049864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 0.70 7.61 -18.29 1 7 0 85 300.347 3
Hi High (pH 8-9.5) 0.77 6.41 -61.4 0 7 -1 91 299.339 3

Activity (Go SEA)

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