UCSF

ZINC43336083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 0.92 5.11 -118.61 4 4 2 69 223.32 5
Mid Mid (pH 6-8) 0.92 4.77 -43.43 3 4 1 67 222.312 5
Mid Mid (pH 6-8) 0.92 2.69 -47.25 3 4 1 68 222.312 5

Activity (Go SEA)

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