UCSF

ZINC35273471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 0.92 2.68 -45.02 3 4 1 49 260.427 7
Mid Mid (pH 6-8) 0.92 3.67 -40.59 3 4 1 46 260.427 7

Activity (Go SEA)

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