UCSF

ZINC39110990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 2.16 1.57 -3.74 1 3 0 33 227.348 3
Mid Mid (pH 6-8) 2.16 3.84 -31.8 2 3 1 34 228.356 3

Activity (Go SEA)

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