UCSF

ZINC43799330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 Yes

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) -0.47 7.09 -178.91 4 6 3 55 303.471 9
Hi High (pH 8-9.5) -0.47 5.72 -97.03 3 6 2 50 302.463 9

Activity (Go SEA)

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