UCSF

ZINC59063633

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 10 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) 3.26 6.68 -0.05 0 0 0 0 138.254 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0006298A1; EP0031966A1; EP0034876A2; EP0071783A1; EP0172033A2; EP0305807B1; EP0397996A2; EP0402881B1; EP0505151A3; EP0875578A3; EP0947572A1; US3932509; US4173627; US4257619; US4264284; US4303649; US4331569; US4366827; US4399163; US4411925; US4412399; US IBM Patent Data

Activity (Go SEA)

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