UCSF

ZINC36434850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 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) 1.59 3.02 -16.33 1 7 0 89 372.468 7
Mid Mid (pH 6-8) 2.05 0.89 -46.65 0 7 -1 92 371.46 7

Activity (Go SEA)

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