UCSF

ZINC44418604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 19 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) 2.54 6.08 -101.62 4 3 2 35 348.354 5
Hi High (pH 8-9.5) 2.54 3.45 -1.32 2 3 0 32 346.338 5
Mid Mid (pH 6-8) 2.54 3.82 -39.81 3 3 1 34 347.346 5

Activity (Go SEA)

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