UCSF

ZINC37854774

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) -0.39 -0.87 -43.82 3 5 1 59 247.359 9
Hi High (pH 8-9.5) -0.39 -2.29 -5.53 2 5 0 54 246.351 9
Mid Mid (pH 6-8) -0.39 1.44 -107.61 4 5 2 60 248.367 9

Activity (Go SEA)

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