UCSF

ZINC36850773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.86 1.42 -52.42 2 5 1 63 201.246 5
Hi High (pH 8-9.5) -0.86 0.15 -10.46 1 5 0 59 200.238 5
Mid Mid (pH 6-8) -0.86 0.15 -8.43 1 5 0 59 200.238 5

Activity (Go SEA)

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