UCSF

ZINC43020800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 25 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) 1.43 6.48 -52.6 3 6 1 89 344.435 5
Hi High (pH 8-9.5) 1.43 5.28 -17.8 2 6 0 84 343.427 5

Activity (Go SEA)

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