UCSF

ZINC00547049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 21 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) 2.60 5.84 -40.56 3 5 1 68 321.813 4
Hi High (pH 8-9.5) 2.78 3.01 -47.23 1 5 -1 73 319.797 4
Hi High (pH 8-9.5) 2.78 4.13 -30.26 2 5 0 74 320.805 4
Hi High (pH 8-9.5) 2.60 4.79 -11.38 2 5 0 66 320.805 4

Activity (Go SEA)

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