UCSF

ZINC41391588

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 1.86 7.22 -8.15 0 2 0 18 158.204 1
Mid Mid (pH 6-8) 1.86 7.7 -28.62 1 2 1 19 159.212 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0240015A2; EP0240015B1; EP0276942A1; US5008274; US5434164 IBM Patent Data

Activity (Go SEA)

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