UCSF

ZINC34829589

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 No

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) 3.46 14.55 -60.81 1 8 1 91 505.62 5
Mid Mid (pH 6-8) 3.46 12.83 -21.51 0 8 0 90 504.612 5

Activity (Go SEA)

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