UCSF

ZINC18066298

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 33 No

Other Names:

MFCD02955074

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) 4.31 13.31 -12.77 1 5 0 66 436.511 4
Hi High (pH 8-9.5) 5.39 11.33 -56.86 0 5 -1 73 435.503 4
Hi High (pH 8-9.5) 5.39 11.15 -61.41 0 5 -1 73 435.503 4

Activity (Go SEA)

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