UCSF

ZINC06660606

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 31 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) -0.58 11.33 -100.08 4 7 2 91 415.497 5
Mid Mid (pH 6-8) -0.58 10.81 -50.66 3 7 1 90 414.489 5

Activity (Go SEA)

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