UCSF

ZINC21518730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 17 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) 1.85 -0.92 -14.23 4 5 0 92 258.343 5
Hi High (pH 8-9.5) 1.85 -0.47 -44.47 3 5 -1 95 257.335 5

Activity (Go SEA)

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