UCSF

ZINC01595876

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 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) 1.23 1.76 -6.05 3 5 0 80 169.575 0
Mid Mid (pH 6-8) 1.23 1.31 -35.67 2 5 -1 79 168.567 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0123473A2; US4558047 IBM Patent Data

Activity (Go SEA)

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