UCSF

ZINC34677655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.65 4.57 -39.79 2 8 1 77 424.61 12
Mid Mid (pH 6-8) 1.65 6.82 -95.66 3 8 2 79 425.618 12

Activity (Go SEA)

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