UCSF

ZINC36191635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.73 5.46 -169.63 5 4 3 40 285.5 4
Hi High (pH 8-9.5) 0.73 4.77 -76.27 4 4 2 38 284.492 4

Activity (Go SEA)

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