UCSF

ZINC42367608

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 0.56 4.08 -88.67 3 3 2 24 189.347 8
Hi High (pH 8-9.5) 0.56 1.6 -36.34 2 3 1 23 188.339 8

Activity (Go SEA)

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