UCSF

ZINC04618330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 20 Yes

Other Names:

MFCD03256650

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) 4.40 -3.66 -7.9 1 3 0 46 348.276 4
Hi High (pH 8-9.5) 4.40 -3.08 -40.42 0 3 -1 48 347.268 4

Activity (Go SEA)

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