UCSF

ZINC29927439

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 26 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) 3.80 8.57 -54.24 2 6 1 72 377.896 7
Hi High (pH 8-9.5) 3.80 6.28 -15.71 1 6 0 71 376.888 7

Activity (Go SEA)

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