UCSF

ZINC43253980

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.11 3.86 -31.08 4 3 1 51 317.906 6
Hi High (pH 8-9.5) 3.10 1.31 -2.74 3 3 0 49 316.898 6
Mid Mid (pH 6-8) 3.11 1.6 -45.65 4 3 1 51 317.906 6
Lo Low (pH 4.5-6) 3.11 4.16 -109.01 5 3 2 52 318.914 6

Activity (Go SEA)

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