UCSF

ZINC04261342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 23 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) 3.46 3.75 -9.34 3 6 0 91 352.177 4
Mid Mid (pH 6-8) 3.46 4.49 -46.83 2 6 -1 94 351.169 4

Activity (Go SEA)

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