UCSF

ZINC09994403

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 3.81 11.01 -48.77 2 7 1 81 465.57 11
Mid Mid (pH 6-8) 3.23 11.82 -58.55 1 7 1 77 465.57 11

Activity (Go SEA)

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