UCSF

ZINC35899303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 23 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) 2.66 5.63 -10.3 1 5 0 56 305.337 4
Lo Low (pH 4.5-6) 2.66 6.1 -44.67 2 5 1 58 306.345 4

Activity (Go SEA)

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