UCSF

ZINC42462702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.98 4.25 -41.65 2 5 1 47 253.37 3
Hi High (pH 8-9.5) 0.98 3.24 -4.62 1 5 0 42 252.362 3

Activity (Go SEA)

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