UCSF

ZINC09130745

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 33 Yes

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) 0.79 5.38 -56.52 4 10 1 122 458.539 6
Mid Mid (pH 6-8) 0.79 5.85 -121.26 5 10 2 124 459.547 6

Activity (Go SEA)

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