UCSF

ZINC43395734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.57 7.43 -94.69 4 3 2 45 251.418 6
Mid Mid (pH 6-8) 2.57 7.88 -43.97 3 3 1 44 250.41 6

Activity (Go SEA)

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