UCSF

ZINC42461591

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.02 2.28 -50.46 3 3 1 40 320.276 3
Hi High (pH 8-9.5) 2.02 1.99 -2.7 2 3 0 38 319.268 3

Activity (Go SEA)

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