UCSF

ZINC43709142

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 -0.17 -60.49 4 7 1 101 318.35 4
Hi High (pH 8-9.5) -0.29 -1.34 -56.87 2 7 -1 99 316.334 4
Mid Mid (pH 6-8) -0.29 0.01 -87.94 3 7 0 103 317.342 4

Activity (Go SEA)

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