UCSF

ZINC04938340

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 1.47 6.22 -49.88 2 8 1 95 401.896 9
Mid Mid (pH 6-8) 1.16 3.15 -18.85 1 8 0 97 400.888 9
Mid Mid (pH 6-8) 1.47 5.71 -23.2 1 8 0 94 400.888 9

Activity (Go SEA)

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