UCSF

ZINC11616249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 19 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) 0.10 -9.57 -10.48 4 8 0 119 285.691 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0190726A2; EP0364559A1; EP0364559B1; EP0473708A1; EP0473708B1; EP0547910A1; EP0547910B1; EP0604409A1; EP0626853A1; EP0626853B1; EP0642347A1; EP0683781A1; EP0715523A1; EP0776211A1; EP0778898A1; EP0799046A1; EP0801571A1; EP0817790A1; EP1035202A3; EP105645 IBM Patent Data

Activity (Go SEA)

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