UCSF

ZINC37100409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 25 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) 3.07 5.65 -44.26 4 8 1 121 347.395 4
Hi High (pH 8-9.5) 3.07 4.62 -13.86 3 8 0 116 346.387 4

Activity (Go SEA)

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