UCSF

ZINC06622582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 25 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) 1.27 -0.49 -13.5 1 7 0 93 343.335 5
Mid Mid (pH 6-8) 0.68 -0.68 -17.08 0 7 0 89 343.335 5

Activity (Go SEA)

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