UCSF

ZINC33719320

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) 5.70 13.55 -25.08 1 6 0 75 484.625 7
Hi High (pH 8-9.5) 5.89 12.47 -54.44 0 6 -1 82 483.617 7

Activity (Go SEA)

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