UCSF

ZINC09065149

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 30 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) 4.82 10.84 -56.02 0 5 -1 70 426.92 8
Mid Mid (pH 6-8) 4.24 11.03 -9.98 0 5 0 64 427.928 8
Mid Mid (pH 6-8) 5.27 10.78 -18.43 1 5 0 67 427.928 7

Activity (Go SEA)

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