UCSF

ZINC28762242

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 0.99 3.97 -35.57 2 4 1 43 226.296 6
Hi High (pH 8-9.5) 0.99 1.37 -7.57 1 4 0 42 225.288 6

Activity (Go SEA)

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