UCSF

ZINC09301870

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 5.03 12.47 -44.84 2 6 1 71 463.598 11
Mid Mid (pH 6-8) 4.00 1.83 -44.86 1 6 1 68 463.598 12

Activity (Go SEA)

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