UCSF

ZINC05409213

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.46 7.47 -55.32 0 6 -1 87 366.324 5
Mid Mid (pH 6-8) 2.90 2.36 -19.55 1 6 0 83 367.332 4
Mid Mid (pH 6-8) 1.87 1.65 -11.35 0 6 0 80 367.332 5

Activity (Go SEA)

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