UCSF

ZINC34549713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.78 8.34 -7.19 1 4 0 45 310.397 3
Lo Low (pH 4.5-6) 3.78 10.56 -41.65 2 4 1 47 311.405 3

Activity (Go SEA)

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