UCSF

ZINC36636867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 1.77 6.5 -19.82 2 9 0 114 423.502 8
Lo Low (pH 4.5-6) 1.77 6.96 -54.06 3 9 1 115 424.51 8

Activity (Go SEA)

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