UCSF

ZINC25080015

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 32 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) 2.19 6.25 -62.43 4 8 1 109 461.608 10
Hi High (pH 8-9.5) 2.19 4.12 -21.23 3 8 0 108 460.6 10

Activity (Go SEA)

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