UCSF

ZINC42869467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.90 7.73 -40.25 3 3 1 43 284.408 4
Hi High (pH 8-9.5) 2.90 5.36 -7.4 2 3 0 42 283.4 4

Activity (Go SEA)

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