UCSF

ZINC08489356

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2006 29 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) 5.82 14.44 -54.55 0 6 -1 99 407.833 3
Mid Mid (pH 6-8) 5.82 14.42 -45.57 1 6 0 100 408.841 3

Activity (Go SEA)

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