UCSF

ZINC36634054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 0.45 2.02 -12.36 1 6 0 64 331.416 4
Mid Mid (pH 6-8) 0.45 4.09 -42.7 2 6 1 65 332.424 4
Mid Mid (pH 6-8) 0.45 4.36 -44.75 2 6 1 65 332.424 4

Activity (Go SEA)

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