UCSF

ZINC34041506

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 22 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) 1.80 6 -58.43 3 4 1 57 317.331 4
Hi High (pH 8-9.5) 1.80 5.66 -5.02 2 4 0 56 316.323 4

Activity (Go SEA)

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