UCSF

ZINC33820160

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 9.03 18.05 -43.04 0 2 -1 40 353.611 20
Lo Low (pH 4.5-6) 9.03 16.08 -4.78 1 2 0 37 354.619 20

Activity (Go SEA)

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