UCSF

ZINC39227218

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 33 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) 3.06 10.93 -49.77 1 7 1 64 450.559 4
Hi High (pH 8-9.5) 3.06 8.76 -12.29 0 7 0 62 449.551 4

Activity (Go SEA)

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