UCSF

ZINC20127118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.13 6.37 -51.98 2 4 1 46 299.341 7
Hi High (pH 8-9.5) 2.13 4.94 -11.71 1 4 0 42 298.333 7

Activity (Go SEA)

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