UCSF

ZINC40979303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 24 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) 2.44 6 -34.82 2 4 1 37 327.448 6
Mid Mid (pH 6-8) 2.44 6.04 -38.76 2 4 1 37 327.448 6
Mid Mid (pH 6-8) 2.44 3.79 -6.5 1 4 0 36 326.44 6

Activity (Go SEA)

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