UCSF

ZINC33820738

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 28 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) 4.25 7.69 -47.15 2 4 -1 81 391.572 4
Lo Low (pH 4.5-6) 4.25 5.72 -8.06 3 4 0 78 392.58 4

Activity (Go SEA)

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