UCSF

ZINC25463938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 3.62 9.02 -23.63 1 6 0 73 397.5 6
Hi High (pH 8-9.5) 3.62 9.09 -64.61 0 6 -1 75 396.492 6

Activity (Go SEA)

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