UCSF

ZINC25448140

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 2.85 6.43 -18.11 1 7 0 89 457.577 8
Lo Low (pH 4.5-6) 2.85 6.88 -50.21 2 7 1 90 458.585 8

Activity (Go SEA)

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