UCSF

ZINC28225233

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 5.45 9.91 -12.16 1 3 0 42 383.687 3
Hi High (pH 8-9.5) 5.51 8.84 -48.48 0 3 -1 48 382.679 3

Activity (Go SEA)

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