UCSF

ZINC36775740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.25 2.69 -132.34 4 4 2 48 250.39 4
Hi High (pH 8-9.5) -0.25 2.86 -38.96 3 4 1 47 249.382 4
Hi High (pH 8-9.5) -0.25 3.21 -112.01 4 4 2 48 250.39 4
Mid Mid (pH 6-8) -0.25 0.84 -45.34 3 4 1 47 249.382 4
Lo Low (pH 4.5-6) -0.25 3.67 -169.44 5 4 3 49 251.398 4

Activity (Go SEA)

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