UCSF

ZINC06694057

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 29 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) 3.07 0.66 -12.89 1 6 0 79 389.407 6
Mid Mid (pH 6-8) 2.48 0.51 -18.1 0 6 0 76 389.407 6

Activity (Go SEA)

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