UCSF

ZINC36850865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -0.09 4.28 -52.48 2 5 1 67 235.263 4
Hi High (pH 8-9.5) -0.09 3.01 -11.91 1 5 0 63 234.255 4

Activity (Go SEA)

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