UCSF

ZINC01666667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 0.76 6.34 -12.96 0 3 0 57 180.251 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0372477A1; EP0372477B1; EP0472268A2; EP0472268A3; EP0510093B1; EP0554312B1; EP0558626B1; EP0558636B1; EP0558637B1; EP0572965A1; EP0572965B1; EP0585793A1; EP0620410A1; EP0620410B1; EP0852695A1; US4920176; US5017630; US5166227; US5167876; US5183613; US518 IBM Patent Data

Activity (Go SEA)

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