UCSF

ZINC21983370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 20 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) 3.65 7.65 -52.98 3 2 1 37 311.232 6
Hi High (pH 8-9.5) 3.65 6.25 -6.99 2 2 0 32 310.224 6

Activity (Go SEA)

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