UCSF

ZINC37869730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 1.32 0.7 -39.63 5 4 1 80 223.296 4
Hi High (pH 8-9.5) 1.32 -0.41 -8.15 4 4 0 75 222.288 4

Activity (Go SEA)

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