UCSF

ZINC37798161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.62 2.54 -50.09 4 5 1 77 244.359 7
Hi High (pH 8-9.5) 0.62 2.22 -14.66 3 5 0 75 243.351 7

Activity (Go SEA)

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