UCSF

ZINC01317693

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 24 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) 2.84 4.78 -10.54 3 5 0 71 366.336 5
Mid Mid (pH 6-8) 2.84 5.51 -37.94 2 5 -1 73 365.328 5

Activity (Go SEA)

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