UCSF

ZINC36783348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.31 7.11 -115.43 4 3 2 41 264.413 7
Hi High (pH 8-9.5) 2.31 6.84 -28.74 3 3 1 40 263.405 7
Hi High (pH 8-9.5) 2.31 5.39 -41 3 3 1 40 263.405 7

Activity (Go SEA)

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