UCSF

ZINC34559600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 5.17 14.59 -49.84 2 4 1 46 464.42 5
Lo Low (pH 4.5-6) 5.17 15.05 -112.3 3 4 2 47 465.428 5

Activity (Go SEA)

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