UCSF

ZINC40190995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 3.86 8.29 -8.35 1 4 0 47 299.418 6
Mid Mid (pH 6-8) 3.86 8.98 -28.9 2 4 1 48 300.426 6

Activity (Go SEA)

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