UCSF

ZINC69607822

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 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) 1.83 7.82 -36.34 1 3 1 21 260.405 4
Lo Low (pH 4.5-6) 1.83 9.56 -115.03 2 3 2 22 261.413 4

Activity (Go SEA)

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