UCSF

ZINC25070944

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 25 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) 1.60 6.03 -12.96 1 6 0 68 348.443 8
Lo Low (pH 4.5-6) 1.60 8.04 -50.93 2 6 1 69 349.451 8

Activity (Go SEA)

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