UCSF

ZINC79098429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2012 27 No

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) 0.18 10.18 -59.3 1 6 -1 90 407.537 5
Mid Mid (pH 6-8) 0.18 10.71 -110.21 1 6 -2 90 406.529 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1051419A1; WO1999035145A1 IBM Patent Data

Activity (Go SEA)

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