UCSF

ZINC30730324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) -4.59 -2.93 -86.05 1 9 0 159 253.079 4
Mid Mid (pH 6-8) -4.59 -4.09 -60.03 2 9 0 156 254.087 4
Mid Mid (pH 6-8) -2.07 -5.54 -94.83 3 9 -2 159 254.087 4
Mid Mid (pH 6-8) -2.07 -5.77 -97.82 3 9 -2 159 254.087 4
Mid Mid (pH 6-8) -4.59 -4.64 -62.78 2 9 0 156 254.087 4

Activity (Go SEA)

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