UCSF

ZINC05681342

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 27 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) 1.38 3.73 -19.69 3 10 0 149 367.321 5
Ref Reference (pH 7) 1.38 3.86 -17.74 3 10 0 149 367.321 5
Mid Mid (pH 6-8) 1.83 2.11 -37.84 2 10 -1 152 366.313 5
Mid Mid (pH 6-8) 1.83 1.85 -44.01 2 10 -1 152 366.313 5

Activity (Go SEA)

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