UCSF

ZINC08934675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.63 10.01 -54.55 2 7 1 81 483.972 9
Mid Mid (pH 6-8) 3.05 10.71 -64.09 1 7 1 77 483.972 9

Activity (Go SEA)

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