UCSF

ZINC61707906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 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) 0.71 2.48 -31.1 2 3 1 34 186.275 2
Hi High (pH 8-9.5) 0.71 -0.07 -3.9 1 3 0 33 185.267 2

Activity (Go SEA)

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