UCSF

ZINC09068185

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 4.89 10.95 -58.71 0 6 -1 83 488.372 5
Mid Mid (pH 6-8) 4.31 11.22 -15.8 0 6 0 77 489.38 5
Mid Mid (pH 6-8) 4.89 10.82 -15.77 1 6 0 80 489.38 5

Activity (Go SEA)

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