UCSF

ZINC04261195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 24 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) 2.59 2.67 -10.94 3 7 0 100 327.34 5
Hi High (pH 8-9.5) 2.59 3.44 -51.41 2 7 -1 103 326.332 5

Activity (Go SEA)

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