UCSF

ZINC37788157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.87 9.25 -46.05 2 3 1 43 347.298 6
Hi High (pH 8-9.5) 3.87 8.44 -6.08 1 3 0 38 346.29 6

Activity (Go SEA)

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