UCSF

ZINC37839800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.58 -0.1 -12.23 4 7 0 105 288.307 1
Hi High (pH 8-9.5) -0.40 -2.73 -44.37 3 7 -1 111 287.299 1

Activity (Go SEA)

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