UCSF

ZINC36854967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -2.63 3.7 -43.17 2 6 0 94 226.232 4
Hi High (pH 8-9.5) -2.63 2.64 -52.65 1 6 -1 90 225.224 4
Mid Mid (pH 6-8) -2.63 2.69 -45.66 1 6 -1 90 225.224 4

Activity (Go SEA)

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