UCSF

ZINC43445832

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 0.38 3.1 -38.95 4 5 1 67 251.354 5
Hi High (pH 8-9.5) 0.38 0.9 -7.22 3 5 0 66 250.346 5
Mid Mid (pH 6-8) 0.38 3.58 -90.07 5 5 2 68 252.362 5
Mid Mid (pH 6-8) 0.38 1.36 -28.96 4 5 1 67 251.354 5

Activity (Go SEA)

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