UCSF

ZINC37037850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.66 2.98 -164.51 5 4 3 40 217.381 6
Hi High (pH 8-9.5) -0.66 0.32 -34.38 3 4 1 37 215.365 6
Mid Mid (pH 6-8) -0.66 0.69 -83.41 4 4 2 39 216.373 6

Activity (Go SEA)

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