UCSF

ZINC20212798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 24 Yes

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) 0.62 3.97 -22.34 1 6 0 62 331.416 6
Mid Mid (pH 6-8) 0.62 6.26 -57.05 2 6 1 63 332.424 6
Mid Mid (pH 6-8) 0.68 1.34 -14.6 1 6 0 65 331.416 6
Mid Mid (pH 6-8) 0.68 4.98 -102.46 3 6 2 68 333.432 6
Mid Mid (pH 6-8) 0.68 3.61 -44.85 2 6 1 67 332.424 6

Activity (Go SEA)

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