UCSF

ZINC06813214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 3.76 9.55 -56.2 0 5 -1 70 398.866 7
Mid Mid (pH 6-8) 4.21 0.66 -18.65 1 5 0 66 399.874 6

Activity (Go SEA)

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