UCSF

ZINC28646739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 31 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) 2.50 7.92 -47.26 2 7 1 60 430.617 9
Hi High (pH 8-9.5) 2.50 5.7 -14.57 1 7 0 59 429.609 9
Hi High (pH 8-9.5) 2.50 7.93 -51.98 2 7 1 60 430.617 9
Lo Low (pH 4.5-6) 2.50 10.05 -95.31 3 7 2 62 431.625 9

Activity (Go SEA)

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