UCSF

ZINC37413823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 0.66 1.89 -50.05 1 7 -1 105 351.154 4
Hi High (pH 8-9.5) 0.66 1.96 -112.46 0 7 -2 107 350.146 4

Activity (Go SEA)

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