UCSF

ZINC40175420

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 21 No

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) 1.67 10.76 -48.28 0 6 -1 65 294.319 1
Mid Mid (pH 6-8) 1.67 10.23 -14.79 0 6 0 65 295.327 1

Activity (Go SEA)

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