UCSF

ZINC33716437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 5.39 12.31 -25.91 1 6 0 75 502.562 8
Hi High (pH 8-9.5) 5.58 11.23 -53.6 0 6 -1 82 501.554 8

Activity (Go SEA)

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