UCSF

ZINC26267174

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 29 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) -0.63 -0.82 -29.46 5 12 0 171 405.415 6
Mid Mid (pH 6-8) -0.63 0.51 -57.85 6 12 1 172 406.423 6
Mid Mid (pH 6-8) -0.63 0.4 -56.31 6 12 1 172 406.423 6

Activity (Go SEA)

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