UCSF

ZINC22728576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 19 No

Other Names:

MFCD00771953

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) 3.56 6.04 -10.9 1 4 0 59 255.273 4
Ref Reference (pH 7) 3.56 4.86 -10.3 1 4 0 59 255.273 4
Hi High (pH 8-9.5) 3.56 5.63 -41.11 0 4 -1 62 254.265 4
Hi High (pH 8-9.5) 3.56 6.83 -54.84 0 4 -1 62 254.265 4
Lo Low (pH 4.5-6) 3.56 6.71 -35.87 2 4 1 61 256.281 4
Lo Low (pH 4.5-6) 3.56 5.29 -36.56 2 4 1 61 256.281 4

Activity (Go SEA)

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