UCSF

ZINC31320212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 19 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) 4.91 5.53 -5.97 2 3 0 50 274.445 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0258814A2; EP0258814B1; US4797481 IBM Patent Data

Activity (Go SEA)

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