UCSF

ZINC37824640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -1.78 -3.12 -45.27 5 6 1 100 202.234 3
Hi High (pH 8-9.5) -1.78 -5.66 -14.62 4 6 0 96 201.226 3

Activity (Go SEA)

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