UCSF

ZINC45626679

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) -0.87 -0.61 -56.27 3 5 1 72 199.23 3
Hi High (pH 8-9.5) -0.87 -1.86 -8.74 2 5 0 67 198.222 3
Hi High (pH 8-9.5) -0.87 -1.88 -11.82 2 5 0 67 198.222 3
Mid Mid (pH 6-8) -0.68 -3.16 -45.15 2 5 0 78 198.222 3
Mid Mid (pH 6-8) -0.68 -3.16 -48.39 2 5 0 78 198.222 3

Activity (Go SEA)

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