UCSF

ZINC27710860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 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) 2.71 7.8 -34.34 1 2 1 14 218.32 1
Mid Mid (pH 6-8) 2.71 5.58 -4.62 0 2 0 12 217.312 1

Activity (Go SEA)

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