UCSF

ZINC36872259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.39 2.21 -27.66 4 5 1 74 248.306 4
Hi High (pH 8-9.5) -0.39 2.25 -10.87 3 5 0 73 247.298 4
Hi High (pH 8-9.5) -0.39 1.94 -8.55 3 5 0 73 247.298 4
Mid Mid (pH 6-8) -0.39 2.59 -54.95 4 5 1 75 248.306 4

Activity (Go SEA)

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