UCSF

ZINC48290811

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 31 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) 4.33 10.44 -39.91 2 6 1 68 439.605 8
Hi High (pH 8-9.5) 4.33 10.47 -17.01 1 6 0 67 438.597 8

Activity (Go SEA)

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