UCSF

ZINC45868777

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2010 30 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) 3.96 10.56 -19.73 1 6 0 73 423.538 7
Lo Low (pH 4.5-6) 3.96 11.03 -50.09 2 6 1 75 424.546 7

Activity (Go SEA)

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