UCSF

ZINC06553732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.61 9.96 -63.14 0 6 -1 83 405.455 5
Mid Mid (pH 6-8) 3.61 9.06 -15.03 1 6 0 80 406.463 5
Mid Mid (pH 6-8) 3.03 9.44 -15.19 0 6 0 77 406.463 5

Activity (Go SEA)

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