UCSF

ZINC36804351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 3.91 7.06 -6.26 1 3 0 38 221.3 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0425921A1; EP0425921B1; US5128356; US5250554 IBM Patent Data

Activity (Go SEA)

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