UCSF

ZINC06294946

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 27 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) 2.42 6.62 -44.44 0 7 -1 96 381.389 5
Mid Mid (pH 6-8) 2.42 -0.1 -13.75 1 7 0 92 382.397 5
Mid Mid (pH 6-8) 1.84 -0.23 -20.16 0 7 0 89 382.397 5

Activity (Go SEA)

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