UCSF

ZINC04375874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 29 Yes

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) 4.91 11.52 -16.04 1 4 0 45 417.456 5
Lo Low (pH 4.5-6) 4.91 11.86 -29.43 2 4 1 46 418.464 5

Activity (Go SEA)

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