UCSF

ZINC34940702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 12 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) 0.71 4 -9.84 0 4 0 45 176.212 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0428165A1; EP0780340A1; EP0787792A1; EP0867622A3; EP0949703A1; EP0979535A1; US4370406; US4454197; US5183593; US5250227; US5411789; US5468604; US5556832; US5964903; WO1994011784A1; WO1996002624A1; WO1998048469A1 IBM Patent Data

Activity (Go SEA)

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