UCSF

ZINC49938281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.29 6.99 -115.64 3 4 2 40 333.27 8
Hi High (pH 8-9.5) 2.29 3.28 -5.02 1 4 0 34 331.254 8
Mid Mid (pH 6-8) 2.29 5.61 -37 2 4 1 35 332.262 8
Mid Mid (pH 6-8) 2.29 4.67 -40.82 2 4 1 38 332.262 8

Activity (Go SEA)

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