UCSF

ZINC09239869

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 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) 3.03 9.46 -55.31 0 9 -1 125 439.444 9
Mid Mid (pH 6-8) 3.47 7.78 -16.7 1 9 0 122 440.452 8
Mid Mid (pH 6-8) 2.44 0.52 -17.6 0 9 0 118 440.452 9

Activity (Go SEA)

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