UCSF

ZINC37077169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 25 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) 4.15 7.22 -10.58 1 5 0 60 334.375 2
Lo Low (pH 4.5-6) 4.15 7.61 -33.96 2 5 1 62 335.383 2

Activity (Go SEA)

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