UCSF

ZINC37082072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 4.69 7.51 -105.76 4 2 2 32 270.505 3
Hi High (pH 8-9.5) 4.69 6.72 -41.25 3 2 1 31 269.497 3
Hi High (pH 8-9.5) 4.69 8.39 -27.34 3 2 1 30 269.497 3

Activity (Go SEA)

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