UCSF

ZINC34234053

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 12 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) 1.27 1.77 -7.93 2 4 0 57 158.164 0
Mid Mid (pH 6-8) 1.27 1.94 -10.19 2 4 0 57 158.164 0
Mid Mid (pH 6-8) 1.27 1.92 -12.1 2 4 0 57 158.164 0
Mid Mid (pH 6-8) 1.27 2.02 -12.19 2 4 0 57 158.164 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4734430 IBM Patent Data

Activity (Go SEA)

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