UCSF

ZINC43411467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 26 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) 8.32 15.6 -47.95 0 3 -1 49 359.53 14
Mid Mid (pH 6-8) 8.32 13.61 -6.24 1 3 0 47 360.538 14

Activity (Go SEA)

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