UCSF

ZINC09471120

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 0.93 3.18 -63.69 2 11 -1 165 457.415 10
Mid Mid (pH 6-8) 0.35 3.13 -31.54 2 11 0 159 458.423 10
Mid Mid (pH 6-8) 1.38 2.13 -38.87 3 11 0 162 458.423 9

Activity (Go SEA)

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