UCSF

ZINC16733635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 4.25 12.42 -62.55 0 7 -1 100 461.519 6
Mid Mid (pH 6-8) 4.69 11.08 -29.25 1 7 0 97 462.527 5
Mid Mid (pH 6-8) 3.66 12.44 -20.99 0 7 0 94 462.527 6

Activity (Go SEA)

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