UCSF

ZINC22015070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

CAS Number: 21060-30-0

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) 3.24 8.72 -5.86 0 1 0 17 202.297 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0012820A1; EP0102047A1; EP0272580A2; EP0272580B1; US4237026; US4514044 IBM Patent Data

Activity (Go SEA)

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