UCSF

ZINC19848858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 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) 2.48 9.39 -38.79 3 7 0 114 477.344 5
Mid Mid (pH 6-8) 2.48 10.19 -54.64 2 7 -1 117 476.336 5

Activity (Go SEA)

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