UCSF

ZINC60007894

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 10 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) 0.31 3.37 -102.24 4 2 2 32 144.262 2
Mid Mid (pH 6-8) 0.31 3.07 -28.99 3 2 1 30 143.254 2
Mid Mid (pH 6-8) 0.31 1.6 -39.95 3 2 1 31 143.254 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.