UCSF

ZINC09435209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 2.60 9.89 -52.49 2 9 1 117 470.477 8
Mid Mid (pH 6-8) 2.02 10.59 -56.91 1 9 1 114 470.477 8

Activity (Go SEA)

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