UCSF

ZINC05010607

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 22 No

Other Names:

MFCD07801296

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) 0.25 6.02 -22.41 2 5 0 68 315.398 3
Mid Mid (pH 6-8) 2.89 5.54 -66.35 2 5 -1 76 314.39 3

Activity (Go SEA)

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