UCSF

ZINC36808285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) -1.37 2.78 -43.66 3 6 0 110 227.264 7
Hi High (pH 8-9.5) -1.37 1.49 -45.07 2 6 -1 105 226.256 7

Activity (Go SEA)

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