UCSF

ZINC31518905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 30 No

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) 5.50 6.42 -4.88 3 3 0 61 418.662 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0050325A2; EP0946584A1; US3993675; US4163744; US4199518; US4199577; US4217279; US4226770; US4264512; US4310467; US4312812; US4354972; US4358406; US4360470; US4670190 IBM Patent Data

Activity (Go SEA)

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