UCSF

ZINC00487953

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 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) 1.94 -2.08 -36.44 3 3 1 40 257.357 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0016274A1; EP0032684A1; US3944582; US3992385; US4054660; US4057635; US4098790; US4166182; US4180582; US4201862; US4202979; US4417051; US4713457; US5097031 IBM Patent Data

Activity (Go SEA)

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