UCSF

ZINC42317771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) -0.19 3.09 -89.78 4 3 2 35 185.315 3
Hi High (pH 8-9.5) -0.19 0.87 -37.9 3 3 1 34 184.307 3

Activity (Go SEA)

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