UCSF

ZINC37817804

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) 3.00 8.2 -36.05 2 3 1 37 265.421 4
Hi High (pH 8-9.5) 3.00 6.89 -6.44 1 3 0 32 264.413 4

Activity (Go SEA)

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