UCSF

ZINC43912645

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 0.19 0.61 -31.29 2 5 1 48 247.359 8
Hi High (pH 8-9.5) 0.19 -0.7 -3.38 1 5 0 43 246.351 8
Mid Mid (pH 6-8) 0.19 0.44 -29.1 2 5 1 44 247.359 8

Activity (Go SEA)

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