UCSF

ZINC34539768

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) 2.78 6.23 -6.38 0 3 0 30 245.322 1
Lo Low (pH 4.5-6) 2.78 8.31 -41.18 1 3 1 31 246.33 1

Activity (Go SEA)

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