UCSF

ZINC00596707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 2.25 -2.93 -45.48 5 8 1 124 355.422 6
Mid Mid (pH 6-8) -1.00 -2.66 -97.27 6 8 2 124 356.43 4

Activity (Go SEA)

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