UCSF

ZINC44196737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 Yes

Other Names:

MFCD03002421

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) 0.23 4.96 -37.35 3 3 0 68 234.082 3
Hi High (pH 8-9.5) 0.23 4.62 -41.34 2 3 -1 66 233.074 3

Activity (Go SEA)

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