UCSF

ZINC37109943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -0.29 0.53 -99.24 5 3 2 52 162.277 5
Hi High (pH 8-9.5) -0.29 0.06 -30.87 4 3 1 51 161.269 5
Mid Mid (pH 6-8) -0.29 1.07 -41.55 4 3 1 55 161.269 5

Activity (Go SEA)

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