UCSF

ZINC34957359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.97 4.43 -43.19 0 3 -1 49 145.178 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0239271A2; EP0339599A2; EP0339599B1; EP0363571B1; EP0376859A1; EP0376859B1; EP0448602A1; EP0507407B1; EP0584952A1; EP0584952B1; EP0599779A1; EP0605193A1; EP0635264B1; EP0650724A1; EP0651998A1; EP0657162A1; EP0665015A2; EP0665015A3; EP0693285A2; EP069328 IBM Patent Data

Activity (Go SEA)

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