UCSF

ZINC16570791

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 34 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) 2.83 11.83 -16.28 0 7 0 84 455.493 8
Lo Low (pH 4.5-6) 2.83 12.1 -53.24 1 7 1 85 456.501 8

Activity (Go SEA)

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