UCSF

ZINC26162802

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 26 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) 4.51 12.29 -26.79 2 4 1 40 344.438 6
Hi High (pH 8-9.5) 4.51 11.88 -13.09 1 4 0 39 343.43 6

Activity (Go SEA)

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