UCSF

ZINC43709141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.29 -0.18 -61.62 4 7 1 101 318.35 4
Hi High (pH 8-9.5) -0.29 -1.33 -55.76 2 7 -1 99 316.334 4
Mid Mid (pH 6-8) -0.29 0.02 -90.38 3 7 0 103 317.342 4

Activity (Go SEA)

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