UCSF

ZINC36372630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 13 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) 0.88 4.3 -40.3 2 3 1 34 185.291 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4098904; US4148914; US4152459; US4153717; US4179501; US4192885; US4197308; US4215114 IBM Patent Data

Activity (Go SEA)

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