UCSF

ZINC21639514

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 27 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) 4.49 11.48 -6.63 1 4 0 41 366.415 4
Mid Mid (pH 6-8) 4.49 13.81 -48.15 2 4 1 42 367.423 4

Activity (Go SEA)

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