UCSF

ZINC37985098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.03 5.87 -55.71 3 3 1 46 408.135 5
Hi High (pH 8-9.5) 4.03 4.52 -6.94 2 3 0 41 407.127 5
Hi High (pH 8-9.5) 4.03 6.79 -68.48 2 3 0 49 407.127 5

Activity (Go SEA)

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