UCSF

ZINC30751459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 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) 3.36 8.15 -14.63 1 5 0 66 358.463 5
Hi High (pH 8-9.5) 3.36 8.22 -50.22 0 5 -1 69 357.455 5

Activity (Go SEA)

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