UCSF

ZINC36986986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 0.88 1.8 -37.59 4 5 1 66 229.348 5
Hi High (pH 8-9.5) 0.88 -0.47 -5.84 3 5 0 65 228.34 5
Hi High (pH 8-9.5) 0.88 -0.21 -4.72 3 5 0 65 228.34 5
Mid Mid (pH 6-8) 0.88 1.73 -39.89 4 5 1 66 229.348 5

Activity (Go SEA)

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