UCSF

ZINC40173811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 1.71 0.24 -50.97 3 4 1 67 274.728 4
Hi High (pH 8-9.5) 1.71 -0.16 -8.23 2 4 0 65 273.72 4

Activity (Go SEA)

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