UCSF

ZINC01791362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 28 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) 0.76 -7.72 -50.49 2 8 1 96 391.423 7
Mid Mid (pH 6-8) 0.76 -6.75 -131.12 3 8 2 97 392.431 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.