UCSF

ZINC31861877

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 No

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) -0.22 4.54 -75.37 4 6 -1 128 294.308 12
Hi High (pH 8-9.5) -0.22 5.33 -179.73 2 6 -3 129 292.292 12

Activity (Go SEA)

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