UCSF

ZINC40039568

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 23 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) 2.75 9.25 -44.13 2 4 1 47 331.461 5
Hi High (pH 8-9.5) 2.94 6.61 -35.85 1 4 0 53 330.453 5

Activity (Go SEA)

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