UCSF

ZINC39915110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 Yes

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) 4.54 11.58 -20.99 1 6 0 81 419.915 7
Hi High (pH 8-9.5) 4.06 9.92 -58.86 0 6 -1 88 418.907 7

Activity (Go SEA)

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