UCSF

ZINC38000594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) -0.51 -0.45 -51.58 5 4 1 69 208.285 5
Mid Mid (pH 6-8) -0.51 0.9 -135.03 6 4 2 73 209.293 5
Mid Mid (pH 6-8) -0.51 0.53 -50.07 5 4 1 72 208.285 5

Activity (Go SEA)

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