UCSF

ZINC37989900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.75 8.49 -42.41 1 6 1 71 310.761 2
Mid Mid (pH 6-8) 1.75 6.3 -7.78 0 6 0 69 309.753 2

Activity (Go SEA)

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