UCSF

ZINC37045468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.23 2.08 -54.81 1 7 -1 119 269.258 6
Hi High (pH 8-9.5) 0.23 2.12 -113.71 0 7 -2 121 268.25 6

Activity (Go SEA)

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