UCSF

ZINC19366888

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 Yes

Other Names:

MFCD05881992

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) 3.55 8.04 -28.09 2 2 1 16 288.242 5
Hi High (pH 8-9.5) 3.55 7.36 -30.24 2 2 1 20 288.242 5

Activity (Go SEA)

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