UCSF

ZINC45289436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.43 14.03 -56.99 0 4 -1 60 446.627 4
Mid Mid (pH 6-8) 5.43 12.06 -11.41 1 4 0 58 447.635 4

Activity (Go SEA)

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