UCSF

ZINC43435728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 3.78 6.79 -27.21 2 2 1 16 241.443 4
Mid Mid (pH 6-8) 3.78 7.87 -36.21 2 2 1 20 241.443 4
Mid Mid (pH 6-8) 3.78 7.91 -96.34 3 2 2 21 242.451 4

Activity (Go SEA)

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