UCSF

ZINC09041275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 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) 3.57 9.98 -47.41 2 7 1 81 445.923 7
Mid Mid (pH 6-8) 2.54 10.91 -45.82 1 7 1 77 445.923 8

Activity (Go SEA)

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