UCSF

ZINC19475211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 No

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) 1.43 1.82 -21.65 3 5 0 85 293.373 4
Mid Mid (pH 6-8) 1.43 1.9 -44.75 2 5 -1 87 292.365 4

Activity (Go SEA)

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