UCSF

ZINC21761010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.68 9.66 -27.22 1 8 0 99 483.619 6
Hi High (pH 8-9.5) 3.68 9.49 -52.06 0 8 -1 98 482.611 6

Activity (Go SEA)

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