UCSF

ZINC33902362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 20 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) 1.82 8.62 -53.03 2 4 0 60 270.332 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0016274A1; EP0026671A1; EP0032684A1; EP0070562A1; EP0091652A1; EP0218433A1; EP0219257A2; EP0219257B1; US3954772; US3968111; US4031097; US4054660; US4075212; US4075213; US4166182; US4180582; US4201862; US4202979; US4246265; US4417051; US4526892; US463299 IBM Patent Data

Activity (Go SEA)

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