UCSF

ZINC25302651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 29 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) 2.02 6.98 -42.77 2 7 1 76 400.499 10
Mid Mid (pH 6-8) 2.02 6.97 -47.48 2 7 1 76 400.499 10
Mid Mid (pH 6-8) 2.02 4.68 -13.87 1 7 0 75 399.491 10
Mid Mid (pH 6-8) 2.02 4.72 -39.62 2 7 1 76 400.499 10

Activity (Go SEA)

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