UCSF

ZINC06170441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2006 19 Yes

Other Names:

MFCD12447338

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 5.27 -46.13 3 3 1 46 278.759 5
Hi High (pH 8-9.5) 3.55 3.89 -6.19 2 3 0 41 277.751 5

Activity (Go SEA)

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