UCSF

ZINC22702528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 2.95 6.84 -14.14 2 8 0 89 483.609 11
Lo Low (pH 4.5-6) 2.95 9.06 -56.71 3 8 1 90 484.617 11

Activity (Go SEA)

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