UCSF

ZINC04098323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 17 Yes

CAS Number: 38481-95-7

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) 3.58 -0.76 -6.61 1 2 0 29 226.275 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0031885A1; US4105675; US4376123; US4508732; US4780478 IBM Patent Data

Activity (Go SEA)

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