UCSF

ZINC36886156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 1.79 10.09 -34.38 1 3 0 45 287.281 7
Hi High (pH 8-9.5) 1.79 8.98 -44.43 0 3 -1 43 286.273 7

Activity (Go SEA)

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