UCSF

ZINC06294533

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 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) 3.54 9.77 -47.99 0 6 -1 83 405.455 6
Mid Mid (pH 6-8) 3.54 -0.17 -17.15 1 6 0 79 406.463 6
Mid Mid (pH 6-8) 2.95 -0.25 -24.75 0 6 0 76 406.463 6

Activity (Go SEA)

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