UCSF

ZINC35733925

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 No

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) 1.13 7.98 -10.48 1 3 0 34 209.318 3
Hi High (pH 8-9.5) 1.86 8.11 -47.42 0 3 -1 31 208.31 3

Activity (Go SEA)

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