UCSF

ZINC04339696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 26 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) 3.45 5.41 -10.75 1 5 0 63 371.82 3
Mid Mid (pH 6-8) 3.45 6.04 -40.14 0 5 -1 66 370.812 3

Activity (Go SEA)

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