UCSF

ZINC43419712

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.10 6.97 -54.43 1 4 1 49 226.344 7
Mid Mid (pH 6-8) 0.10 5.36 -11.29 0 4 0 47 225.336 7

Activity (Go SEA)

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