UCSF

ZINC00801665

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 25 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) 3.38 -0.22 -9.36 1 7 0 73 365.865 4
Mid Mid (pH 6-8) 3.38 0.06 -37.55 2 7 1 75 366.873 4

Activity (Go SEA)

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