UCSF

ZINC37899041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 13 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) -0.35 0.33 -47.33 4 4 1 64 182.247 4
Hi High (pH 8-9.5) -0.35 0.07 -6.43 3 4 0 62 181.239 4
Mid Mid (pH 6-8) -0.35 0.9 -95.13 5 4 2 65 183.255 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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