UCSF

ZINC14684844

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 23 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) 2.53 4.04 -43.75 3 4 1 58 311.405 3
Lo Low (pH 4.5-6) 2.53 4.32 -94.26 4 4 2 59 312.413 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0440027A3; EP0851759A1; EP1054080A2; US5051154; US5252196; US5900227; WO1997009046A1 IBM Patent Data

Activity (Go SEA)

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