UCSF

ZINC08774755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 4.87 11.41 -55 2 7 1 84 469.602 14
Mid Mid (pH 6-8) 4.28 12.12 -63.52 1 7 1 81 469.602 14

Activity (Go SEA)

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