UCSF

ZINC45796020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 14 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) 2.31 5.05 -51.33 1 4 -1 69 189.194 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0931075A1; WO1998009961A1 IBM Patent Data

Activity (Go SEA)

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