UCSF

ZINC47992207

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 1.79 2.62 -17.72 3 5 0 89 304.371 6
Mid Mid (pH 6-8) 1.79 2.79 -46.42 2 5 -1 91 303.363 6

Activity (Go SEA)

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