UCSF

ZINC21254585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 34 No

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) 4.40 8.99 -20.05 2 7 0 94 485.964 7
Hi High (pH 8-9.5) 4.40 9.79 -61.91 1 7 -1 97 484.956 7

Activity (Go SEA)

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