UCSF

ZINC47367435

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 19 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) 2.07 3.14 -50.48 1 5 -1 77 283.373 7
Mid Mid (pH 6-8) 2.07 3.13 -13.54 2 5 0 75 284.381 7

Activity (Go SEA)

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