UCSF

ZINC36640454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 38 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) 6.95 16.12 -41.49 1 6 1 60 525.698 9
Hi High (pH 8-9.5) 6.95 14.03 -13.85 0 6 0 59 524.69 9

Activity (Go SEA)

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