UCSF

ZINC42913529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.98 2.41 -110.98 6 4 2 75 267.348 4
Mid Mid (pH 6-8) 0.98 0.39 -39.79 5 4 1 74 266.34 4

Activity (Go SEA)

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