UCSF

ZINC52298937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 2.10 4.75 -34.16 2 2 1 20 183.319 2
Hi High (pH 8-9.5) 2.10 5.23 -28.6 2 2 1 16 183.319 2
Hi High (pH 8-9.5) 2.10 3.56 -0.67 1 2 0 15 182.311 2

Activity (Go SEA)

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