UCSF

ZINC50892967

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.57 8.89 -119.47 4 2 2 32 262.441 5
Mid Mid (pH 6-8) 3.57 8.55 -32.97 3 2 1 30 261.433 5
Mid Mid (pH 6-8) 3.57 6.76 -44.14 3 2 1 31 261.433 5

Activity (Go SEA)

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