UCSF

ZINC25501033

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 19 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) 2.19 4.19 -9.87 1 4 0 42 262.353 4
Lo Low (pH 4.5-6) 2.19 6.36 -39.78 2 4 1 43 263.361 4

Activity (Go SEA)

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