UCSF

ZINC36979287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) -1.05 5.07 -63.73 1 7 -1 106 324.363 2
Hi High (pH 8-9.5) -0.59 3.11 -100.92 0 7 -2 109 323.355 2

Activity (Go SEA)

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