UCSF

ZINC41578002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 3.16 8.65 -38.41 2 4 1 37 360.428 5
Mid Mid (pH 6-8) 3.16 8.64 -41.86 2 4 1 37 360.428 5
Mid Mid (pH 6-8) 3.16 6.38 -10.45 1 4 0 36 359.42 5

Activity (Go SEA)

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