UCSF

ZINC37854751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -1.15 -3.09 -45.87 3 6 1 62 274.385 7
Hi High (pH 8-9.5) -1.15 -4.45 -5.55 2 6 0 57 273.377 7
Mid Mid (pH 6-8) -1.15 -0.83 -111.03 4 6 2 63 275.393 7
Lo Low (pH 4.5-6) -1.15 0.08 -86.73 4 6 2 60 275.393 7

Activity (Go SEA)

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