UCSF

ZINC37078707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.22 4.76 -115.53 4 3 2 41 224.348 5
Hi High (pH 8-9.5) 0.22 2.31 -3.17 2 3 0 38 222.332 5
Mid Mid (pH 6-8) 0.22 4.44 -33.9 3 3 1 40 223.34 5
Mid Mid (pH 6-8) 0.22 2.94 -41.72 3 3 1 40 223.34 5

Activity (Go SEA)

Rings

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