UCSF

ZINC40282354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.89 11.22 -10.91 1 6 0 65 429.52 8
Mid Mid (pH 6-8) 4.89 11.71 -35.55 2 6 1 67 430.528 8

Activity (Go SEA)

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