UCSF

ZINC04149557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 No

Other Names:

MFCD00755105

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) 6.67 12.94 -46.6 0 3 -1 52 390.547 2
Mid Mid (pH 6-8) 6.25 0.63 -11.08 0 3 0 46 391.555 2

Activity (Go SEA)

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