UCSF

ZINC42901020

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.81 2.57 -103.6 6 4 2 75 249.358 4
Hi High (pH 8-9.5) 0.81 2.59 -34.37 5 4 1 74 248.35 4
Mid Mid (pH 6-8) 0.81 0.72 -40.57 5 4 1 74 248.35 4

Activity (Go SEA)

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