UCSF

ZINC18707588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2008 31 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) 3.13 3.5 -18.26 3 8 0 121 457.533 6
Hi High (pH 8-9.5) 3.13 3.61 -49.29 2 8 -1 124 456.525 6
Hi High (pH 8-9.5) 3.13 3.61 -42.71 2 8 -1 124 456.525 6
Hi High (pH 8-9.5) 3.13 3.71 -94.94 1 8 -2 126 455.517 6

Activity (Go SEA)

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