UCSF

ZINC04989366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 17 Yes

Other Names:

MFCD02105891

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) 4.06 -2.18 -4.81 2 2 0 32 296.139 3

Activity (Go SEA)

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