UCSF

ZINC20188876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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) 6.33 10.38 -38.41 0 3 -1 44 387.406 5
Mid Mid (pH 6-8) 6.33 10.88 -15.98 1 3 0 42 388.414 5

Activity (Go SEA)

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