UCSF

ZINC19908560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Other Names:

MFCD12551958

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) 2.78 3.49 -10.44 2 4 0 51 259.305 5
Hi High (pH 8-9.5) 2.78 4.27 -43.86 1 4 -1 54 258.297 5

Activity (Go SEA)

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