UCSF

ZINC09334016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 32 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) 2.27 6.65 -51.69 3 8 1 101 441.504 8
Mid Mid (pH 6-8) 1.24 -0.46 -49.87 2 8 1 97 441.504 9

Activity (Go SEA)

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