UCSF

ZINC19955899

Substance Information

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

Other Names:

MFCD12448047

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) 3.65 6.03 -8.48 2 3 0 41 275.323 5
Hi High (pH 8-9.5) 3.65 6.79 -44.78 1 3 -1 44 274.315 5

Activity (Go SEA)

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