UCSF

ZINC09067837

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) 3.90 10.52 -54.54 0 8 -1 119 485.295 5
Mid Mid (pH 6-8) 3.90 10.4 -15.55 1 8 0 116 486.303 5
Mid Mid (pH 6-8) 3.31 10.76 -17.46 0 8 0 113 486.303 5

Activity (Go SEA)

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