UCSF

ZINC06269556

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 27 Yes

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) 3.93 6.78 -44.77 1 6 -1 90 400.505 5
Mid Mid (pH 6-8) 4.86 7.33 -14.63 2 6 0 91 401.513 4
Mid Mid (pH 6-8) 4.93 4.93 -18.34 2 6 0 95 401.513 4

Activity (Go SEA)

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