UCSF

ZINC37106279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.60 8.51 -46.97 2 3 1 34 222.356 6
Mid Mid (pH 6-8) 2.60 9.25 -100.15 3 3 2 36 223.364 6

Activity (Go SEA)

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