UCSF

ZINC34476904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) -1.55 2.78 -67.82 4 11 -1 175 427.44 7
Hi High (pH 8-9.5) -1.55 3.48 -127.9 3 11 -2 178 426.432 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4098888; US4203899; US4205180; US4298606; US4355160; US4514565; US4668783; US4912212; US4973684; US5583216 IBM Patent Data

Activity (Go SEA)

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