UCSF

ZINC36669641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 1.21 1.12 -48.45 4 3 1 57 216.688 4
Hi High (pH 8-9.5) 1.21 0.66 -7.26 3 3 0 55 215.68 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0400519A1 IBM Patent Data

Activity (Go SEA)

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