UCSF

ZINC43914515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.25 7.94 -131.05 3 4 2 40 280.412 7
Hi High (pH 8-9.5) 3.25 6.06 -41.85 2 4 1 38 279.404 7
Mid Mid (pH 6-8) 3.25 6.48 -39.37 2 4 1 35 279.404 7

Activity (Go SEA)

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