UCSF

ZINC40395475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 32 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) -0.06 -4.58 -18.9 6 12 0 200 448.336 2
Hi High (pH 8-9.5) -0.06 -3.56 -50.11 5 12 -1 203 447.328 2

Activity (Go SEA)

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