UCSF

ZINC00898659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 24 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) 2.49 4.89 -48.7 3 5 1 63 328.388 2
Mid Mid (pH 6-8) 2.49 2.54 -9.7 2 5 0 62 327.38 2

Activity (Go SEA)

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