UCSF

ZINC37390755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 1.05 4.3 -42.09 2 4 1 52 204.29 8
Mid Mid (pH 6-8) 1.05 2.97 -5.93 1 4 0 48 203.282 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0656349B1; US5514713 IBM Patent Data

Activity (Go SEA)

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