UCSF

ZINC36762389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 9 Yes

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) -2.12 -1.58 -42.09 3 4 1 67 128.155 1
Hi High (pH 8-9.5) -2.12 -1.9 -5.98 2 4 0 65 127.147 1

Vendor Notes

Note Type Comments Provided By
MP 192 - 194 Enamine Building Blocks
MP 192...194 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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