UCSF

ZINC40175247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 4.56 13 -30.67 1 5 1 47 404.534 6
Hi High (pH 8-9.5) 4.56 12.67 -7.32 0 5 0 46 403.526 6
Mid Mid (pH 6-8) 4.56 15.21 -87.49 2 5 2 48 405.542 6
Mid Mid (pH 6-8) 4.56 14.87 -44.21 1 5 1 47 404.534 6

Activity (Go SEA)

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