UCSF

ZINC35834845

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 2.56 7.29 -20.6 1 8 0 84 420.469 7
Lo Low (pH 4.5-6) 2.56 7.75 -51.09 2 8 1 85 421.477 7

Activity (Go SEA)

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