UCSF

ZINC37008302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.29 1.95 -42.34 4 5 1 77 244.359 6
Hi High (pH 8-9.5) -0.29 1.61 -12.48 3 5 0 75 243.351 6

Activity (Go SEA)

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