UCSF

ZINC13546384

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 No

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) -4.55 -1.01 -378.77 4 18 -4 290 503.15 8
Mid Mid (pH 6-8) -4.55 -2.17 -242 5 18 -3 287 504.158 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0212536A2; EP0254249A1; EP0684312A3; EP0684312B1; EP0816491A1; US4804748; US5198350; US5466585; US5480980; US5656596; US5702920; US5739290; US5869264; US5990303; WO1999064047A1 IBM Patent Data

Activity (Go SEA)

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