UCSF

ZINC36638101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 6.01 12.83 -38.01 1 7 1 65 490.605 9
Hi High (pH 8-9.5) 6.01 10.73 -9.46 0 7 0 64 489.597 9

Activity (Go SEA)

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