UCSF

ZINC40834470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 No

CAS Number: 18403-12-8

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) 0.00 -2.07 -9.35 3 5 0 79 240.255 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0819764A1; US5994092 IBM Patent Data

Activity (Go SEA)

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