UCSF

ZINC43261312

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.76 2.51 -43.98 4 3 1 51 348.33 5
Hi High (pH 8-9.5) 2.76 2.2 -2.82 3 3 0 49 347.322 5
Mid Mid (pH 6-8) 2.76 4.32 -110.62 5 3 2 52 349.338 5

Activity (Go SEA)

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