UCSF

ZINC45694451

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) -0.91 1.99 -11.36 1 6 0 76 228.248 6
Mid Mid (pH 6-8) -0.91 3.25 -59.15 2 6 1 80 229.256 6
Mid Mid (pH 6-8) -0.91 3.25 -59.14 2 6 1 80 229.256 6

Activity (Go SEA)

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