UCSF

ZINC32888159

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 1.65 4.29 -39.3 3 3 1 46 239.726 3
Hi High (pH 8-9.5) 1.65 2.93 -7.23 2 3 0 41 238.718 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0805147A1; EP1041064A2; EP1041064A3 IBM Patent Data

Activity (Go SEA)

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