UCSF

ZINC08440068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 No

Other Names:

MFCD03861281

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) 5.96 14.59 -43.96 0 5 -1 70 474.536 7
Mid Mid (pH 6-8) 6.40 0.77 -25.08 1 5 0 66 475.544 6
Mid Mid (pH 6-8) 5.37 1.02 -21.04 0 5 0 63 475.544 7

Activity (Go SEA)

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