UCSF

ZINC39128703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 0.51 2.29 -52.85 3 4 1 57 185.247 2
Hi High (pH 8-9.5) 0.51 1.99 -6.98 2 4 0 56 184.239 2

Activity (Go SEA)

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