UCSF

ZINC09507977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 39 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) 4.20 10.69 -55.37 3 8 1 101 531.629 11
Mid Mid (pH 6-8) 3.62 11.39 -64.38 2 8 1 98 531.629 11

Activity (Go SEA)

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