UCSF

ZINC38640268

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 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) 3.49 8.69 -40.56 2 4 1 37 356.515 7
Mid Mid (pH 6-8) 3.49 8.58 -39.1 2 4 1 37 356.515 7
Mid Mid (pH 6-8) 3.49 6.4 -8.08 1 4 0 36 355.507 7

Activity (Go SEA)

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