UCSF

ZINC09272094

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 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) 5.14 11.97 -46.79 0 6 -1 83 455.515 5
Mid Mid (pH 6-8) 4.55 -0.66 -21.65 0 6 0 76 456.523 5
Mid Mid (pH 6-8) 5.58 10.6 -32.83 1 6 0 80 456.523 4

Activity (Go SEA)

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