UCSF

ZINC01535951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 21 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) 0.65 2.59 -18.44 2 6 0 79 292.335 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0123444A1; US4564609; US4610821; US4636567 IBM Patent Data

Activity (Go SEA)

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