UCSF

ZINC42467449

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.49 1.26 -96.78 5 5 2 70 231.34 7
Hi High (pH 8-9.5) -0.49 -0.88 -51.71 4 5 1 69 230.332 7

Activity (Go SEA)

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