UCSF

ZINC39345974

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 24 No

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) 2.89 7.4 -36.29 2 5 1 60 351.492 8
Hi High (pH 8-9.5) 2.89 5.55 -6.32 1 5 0 59 350.484 8

Activity (Go SEA)

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