UCSF

ZINC25046572

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 29 No

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) 2.26 9.13 -125.21 2 9 2 89 420.539 6
Mid Mid (pH 6-8) 2.26 6.86 -56.58 1 9 1 88 419.531 6
Mid Mid (pH 6-8) 2.26 6.76 -54.81 1 9 1 88 419.531 6
Mid Mid (pH 6-8) 2.26 4.5 -13.46 0 9 0 87 418.523 6

Activity (Go SEA)

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