UCSF

ZINC31773804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 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) 2.36 5.02 -63.67 1 6 1 68 387.909 4
Hi High (pH 8-9.5) 2.36 3.17 -17.32 0 6 0 67 386.901 4

Activity (Go SEA)

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