UCSF

ZINC44684569

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.94 8.29 -38.94 2 2 1 20 273.444 6
Hi High (pH 8-9.5) 2.94 7.34 -1.85 1 2 0 15 272.436 6
Mid Mid (pH 6-8) 2.94 9.76 -32.79 2 2 1 16 273.444 6

Activity (Go SEA)

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