UCSF

ZINC43458722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.13 6.48 -6.35 0 2 0 27 238.281 5
Mid Mid (pH 6-8) 2.13 8.41 -49.22 1 2 1 28 239.289 5

Activity (Go SEA)

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