UCSF

ZINC35649802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 0.09 -0.37 -36.99 3 5 1 57 230.332 6
Mid Mid (pH 6-8) 0.09 -0.45 -36.79 3 5 1 57 230.332 6
Mid Mid (pH 6-8) 0.09 -2.65 -9.2 2 5 0 56 229.324 6

Activity (Go SEA)

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