UCSF

ZINC39317597

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 6.46 8.06 -4.97 3 3 0 61 388.592 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0049953A2; US4285867; US4331602; US4486609; US4593131; US4739079; US4835192; US4933475 IBM Patent Data

Activity (Go SEA)

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