UCSF

ZINC41392324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 12 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) -0.01 0.26 -35.87 3 4 1 54 175.252 5
Hi High (pH 8-9.5) -0.01 -2.01 -10.55 2 4 0 53 174.244 5

Activity (Go SEA)

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