UCSF

ZINC09356836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 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) 3.13 9.57 -50.82 2 8 1 90 483.585 11
Mid Mid (pH 6-8) 2.55 10.25 -58.96 1 8 1 87 483.585 11

Activity (Go SEA)

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