UCSF

ZINC09014491

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 29 No

Other Names:

MFCD04021061

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) 1.33 3.45 -67.77 1 8 -1 112 400.407 10
Mid Mid (pH 6-8) 1.77 3.69 -25.15 2 8 0 109 401.415 9

Activity (Go SEA)

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