UCSF

ZINC39895977

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.91 10.54 -15.59 1 6 0 82 475.492 7
Hi High (pH 8-9.5) 4.09 8.32 -45.8 0 6 -1 89 474.484 7

Activity (Go SEA)

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