UCSF

ZINC37852986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.05 -0.56 -39.6 4 5 1 76 250.359 12
Hi High (pH 8-9.5) 0.05 -1.99 -8.36 3 5 0 71 249.351 12

Activity (Go SEA)

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