UCSF

ZINC37982857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 Yes

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) 2.61 9.03 -45.56 1 3 1 25 279.379 4
Mid Mid (pH 6-8) 2.61 6.82 -6.68 0 3 0 24 278.371 4

Activity (Go SEA)

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