UCSF

ZINC44406102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 41 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) 2.56 2.41 -48.59 6 11 1 167 570.615 3
Hi High (pH 8-9.5) 2.56 0.24 -17.2 5 11 0 166 569.607 3

Activity (Go SEA)

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