UCSF

ZINC13570605

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 35 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) 5.62 12.57 -62.46 0 6 -1 79 478.609 10
Mid Mid (pH 6-8) 5.62 11.66 -11.32 1 6 0 76 479.617 10
Mid Mid (pH 6-8) 5.04 12.13 -12.79 0 6 0 73 479.617 10

Activity (Go SEA)

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