UCSF

ZINC06594208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 26 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) 2.92 6.34 -21.47 2 9 0 129 374.74 5
Ref Reference (pH 7) 3.37 3.94 -19.54 2 9 0 130 374.74 5
Mid Mid (pH 6-8) 3.37 4.46 -45.76 1 9 -1 132 373.732 5
Mid Mid (pH 6-8) 3.83 4.94 -46.23 1 9 -1 136 373.732 5
Mid Mid (pH 6-8) 3.37 4.72 -36.77 1 9 -1 132 373.732 5

Activity (Go SEA)

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