UCSF

ZINC19961867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

Other Names:

MFCD12448142

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) 3.37 5.47 -8.1 2 3 0 41 279.286 5
Hi High (pH 8-9.5) 3.37 6.23 -41.72 1 3 -1 44 278.278 5

Activity (Go SEA)

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