UCSF

ZINC36782614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 0.71 -0.92 -13.02 2 6 0 88 289.744 5
Hi High (pH 8-9.5) 0.71 -0.8 -47.61 1 6 -1 90 288.736 5

Activity (Go SEA)

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