UCSF

ZINC38343295

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 13 Yes

Other Names:

MFCD13196359

MFCD13196572

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) 1.16 2.3 -42.68 3 2 1 31 183.319 1
Hi High (pH 8-9.5) 1.16 3.82 -27.6 3 2 1 30 183.319 1
Lo Low (pH 4.5-6) 1.16 4.13 -100.52 4 2 2 32 184.327 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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