UCSF

ZINC43803071

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 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) 0.84 1.63 -42.48 2 4 1 38 241.355 2
Mid Mid (pH 6-8) 0.84 0.27 -3.55 1 4 0 34 240.347 2
Mid Mid (pH 6-8) 0.84 2.54 -32 2 4 1 35 241.355 2
Lo Low (pH 4.5-6) 0.84 3.91 -102.34 3 4 2 40 242.363 2

Activity (Go SEA)

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