UCSF

ZINC22992354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 35 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) 2.89 7.19 -13.77 1 8 0 86 496.633 8
Lo Low (pH 4.5-6) 2.89 9.52 -55.11 2 8 1 87 497.641 8

Activity (Go SEA)

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