UCSF

ZINC19796523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 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) 4.21 9.69 -13.81 1 6 0 72 472.364 4
Hi High (pH 8-9.5) 4.28 8.77 -44.91 0 6 -1 78 471.356 4

Activity (Go SEA)

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