UCSF

ZINC35016881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.09 10.32 -105.42 3 2 2 21 264.457 6
Hi High (pH 8-9.5) 3.09 8.08 -38.63 2 2 1 20 263.449 6
Hi High (pH 8-9.5) 3.09 8.96 -32.45 2 2 1 16 263.449 6

Activity (Go SEA)

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