UCSF

ZINC39344036

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 34 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) 5.04 11.69 -88.01 4 6 2 63 471.686 15
Hi High (pH 8-9.5) 5.04 9.48 -44.2 3 6 1 62 470.678 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005142A1; US4202978; US4247710; US4278608; US4281189; US4285873; US4301300; US4304721; US4314085; US4329289; US4336382 IBM Patent Data

Activity (Go SEA)

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