UCSF

ZINC19537675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.52 8.27 -32.72 1 2 1 8 247.406 4
Mid Mid (pH 6-8) 3.52 8.28 -34.14 1 2 1 8 247.406 4
Mid Mid (pH 6-8) 3.52 5.89 -1.87 0 2 0 6 246.398 4

Activity (Go SEA)

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